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(cis)-1,1-dichloro-1a-methyl-3-phenyl-2,3-dihydro-1H-azirino[1,2-d]benzo[b][1,4]diazepine-4(1aH)-carbaldehyde

View entire compound with spectra: 1 MS (GC)

(cis)-1,1-dichloro-1a-methyl-3-phenyl-2,3-dihydro-1H-azirino[1,2-d]benzo[b][1,4]diazepine-4(1aH)-carbaldehyde
SpectraBase Compound ID 9WvfuVE0geN
InChI InChI=1S/C18H16Cl2N2O/c1-17-11-16(13-7-3-2-4-8-13)21(12-23)14-9-5-6-10-15(14)22(17)18(17,19)20/h2-10,12,16H,11H2,1H3/t16-,17-,22?/m1/s1
InChIKey HUESMUGHSYQBFO-SKLUMECTSA-N
Mol Weight 347.25 g/mol
Molecular Formula C18H16Cl2N2O
Exact Mass 346.063969 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4EDAgV90fZE
Name (cis)-1,1-dichloro-1a-methyl-3-phenyl-2,3-dihydro-1H-azirino[1,2-d]benzo[b][1,4]diazepine-4(1aH)-carbaldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16Cl2N2O
InChI InChI=1S/C18H16Cl2N2O/c1-17-11-16(13-7-3-2-4-8-13)21(12-23)14-9-5-6-10-15(14)22(17)18(17,19)20/h2-10,12,16H,11H2,1H3/t16-,17-,22?/m1/s1
InChIKey HUESMUGHSYQBFO-SKLUMECTSA-N
Literature Reference DOI 10.1002/cjoc.20000180320
Molecular Weight 347.245 g/mol
SMILES C1(Cl)(N2[C@@]1(C[C@](c1ccccc1)(N(C=O)c1ccccc21)[H])C)Cl
SPLASH splash10-06vm-0964000000-3f905e5cec7a7a1d58f2
Source of Spectrum CJC-18-369-4
Synonyms (1aR,3R)-1,1-dichloro-1a-methyl-3-phenyl-2,3-dihydro-1H-azirino[1,2-d]benzo[b][1,4]diazepine-4(1aH)-carbaldehyde
Wiley ID 1773475