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CAS Number: 136081-50-0
6-oxo-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

Structure

6-oxo-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
Name: 6-oxo-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
Synonyms:
General Information
Product Number: 136081500
CAS Registry Number: 136081-50-0
Name:
        2-​Naphthalenecarbonitr​ile, 5,​6,​7,​8-​tetrahydro-​6-​oxo-
        6-​Oxo-​5,​6,​7,​8-​tetrahydronaphthalen​e-​2-​carbonitrile 
 
Chemical Formula: C11H9NO
Exact Mass: 171.07
Molecular Weight: 171.20
m/z: 171.07 (100.0%), 172.07 (12.4%)
Elemental Analysis: C, 77.17; H, 5.30; N, 8.18; O, 9.35
 
InChI: InChI=1S/C11H9NO/c12-7-8-1-2-10-6-11(13)4-3-9(10)5-8/h1-2,5H,3-4,6H2
InChIKey: VFYXRPRIMUJTPO-UHFFFAOYSA-N
Canonical SMILES : C1CC2=C(CC1=O)C=CC(=C2)C#N

Specification

98%

References

PCT Int. Appl. (2013), WO 2013166621 A1 20131114.

PCT Int. Appl. (2013), WO 2013149362 A1 20131010.

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