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CAS Number: 1228837-05-5
4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-carbaldehyde

Structure

4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-carbaldehyde
Name: 4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-carbaldehyde
Synonyms:
General Information
Product Number: 1228837055

CAS Registry Number 1228837-05-5
Name:
1-​Cyclohexene-​1-​carboxaldehyde, 2-​(4-​chlorophenyl)​-​4,​4-​dimethyl-
2-(4-Chlorophenyl)-4,4-dimethylcyclohex-1-ene-1-carboxaldehyde
2-(4-Chlorophenyl)-4,4-dimethylcyclohex-1-enecarboxaldehyde

 

Chemical Formula: C15H17ClO
Exact Mass: 248.10
Molecular Weight: 248.75
m/z: 248.10 (100.0%), 250.09 (32.0%), 249.10 (16.5%), 251.10 (5.3%), 250.10 (1.4%)

 

InChI:InChI=1S/C20H17N3OS/c1-13-7-10-16(25-13)19(23-17-6-2-3-11-21-17)15-9-8-14-5-4-12-22-18(14)20(15)24/h2-12,19,24H,1H3,(H,21,23)/t19-/m0/s1

InChI Key:HFGMIGJDJWLJDQ-IBGZPJMESA-N

Canonical SMILES:CC1=CC=C(S1)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC4=CC=CC=N4

Specification

98%

References

PCT Int. Appl. (2014), WO 2014165044 A1 20141009.                                  

PCT Int. Appl. (2012), WO 2012058392 A1 20120503.

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