CAS Registry Number: 7126-39-8

Name:

1H-​Pyrrole-​3-​carboxaldehyde
Pyrrole-​3-​carboxaldehyde (7CI,​8CI); 3-​Formylpyrrole 

Chemical Formula: C5H5NO
Exact Mass: 95.04
Molecular Weight: 95.10
m/z: 95.04 (100.0%), 96.04 (5.5%)
Elemental Analysis: C, 63.15; H, 5.30; N, 14.73; O, 16.82

InChI: InChI=1S/C5H5NO/c7-4-5-1-2-6-3-5/h1-4,6H
InChIKey: CHNYVNOFAWYUEG-UHFFFAOYSA-N
Canonical SMILES : C1=CNC=C1C=O

Specification

98%

1. (1) WSS: Wolfgang Robien / University of Vienna (Spectral Data were obtained from Wiley Subscription Services, Inc. (US))
2. (2) ACD: Spectral data were obtained from Advanced Chemistry Development, Inc.
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4. (4) Purkarthofer, Thomas; Tetrahedron 2005, V61(32), P7661-7668 CAPLUS
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6. (6) Demopoulos, Vassilis J.; Organic Preparations and Procedures International 1986, V18(4), P278-81 CAPLUS
7. (7) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
8. (8) Bray, Brian L.; Journal of Organic Chemistry 1990, V55(26), P6317-28 CAPLUS
9. (9) Khan, M. K. A.; Tetrahedron 1966, V22(7), P2095-2105 CAPLUS
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13. (13) Zhan, Chang-Guo; Journal of Physical Chemistry B 2004, V108(19), P6098-6104 CAPLUS