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CAS Number: 81787-94-2
1-benzyl-1H-indole-2-carbaldehyde

Structure

1-benzyl-1H-indole-2-carbaldehyde
Name: 1-benzyl-1H-indole-2-carbaldehyde
Synonyms:
General Information
Product Number: 81787942
CAS Registry Number: 81787-94-2
Name:
1H-​Indole-​2-​carboxaldehyde, 1-​(phenylmethyl)​-
1-​Benzyl-​1H-​indole-​2-​carboxaldehyde; 1-​Benzylindole-​2-​carboxaldehyde; N-​Benzyl-​1H-​indole-​2-​carboxaldehyde; N-​Benzylindole-​2-​carboxaldehyde 
 
Chemical Formula: C16H13NO
Exact Mass: 235.10
Molecular Weight: 235.28
m/z: 235.10 (100.0%), 236.10 (17.7%), 237.11 (1.4%)
Elemental Analysis: C, 81.68; H, 5.57; N, 5.95; O, 6.80
 
InChI: InChI=1S/C16H13NO/c18-12-15-10-14-8-4-5-9-16(14)17(15)11-13-6-2-1-3-7-13/h1-10,12H,11H2
InChIKey: ZEVVAMDVWHMNDL-UHFFFAOYSA-N
Canonical SMILES : C1=CC=C(C=C1)CN2C3=CC=CC=C3C=C2C=O
 
Thermal Properties Value Condition Note
Melting Point 68-70 °C Solv: methanol (67-56-1) (2)IC
Melting Point 45-47 °C   (1)CAS

Specification

98%

References
  1. (1) Biswas, Subhasish; Tetrahedron 2010, V66(39), P7781-7786 CAPLUS
  2. (2) Reed, G. W. Bryan; Canadian Journal of Chemistry 1982, V60(4), P419-24 CAPLUS
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