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(trans)-1,1-dichloro-3-methyl-1a-phenyl-2,3-dihydro-1H-azirino[1,2-d]benzo[b][1,4]diazepine-4(1aH)-carbaldehyde
SpectraBase Compound ID 6bLnBHxoK8i
InChI InChI=1S/C18H16Cl2N2O/c1-13-11-17(14-7-3-2-4-8-14)18(19,20)22(17)16-10-6-5-9-15(16)21(13)12-23/h2-10,12-13H,11H2,1H3/t13-,17+,22?/m0/s1
InChIKey ALSXBUWXPXOZSH-DNPSIRKISA-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 CTDGFidVt1S
Name (trans)-1,1-dichloro-3-methyl-1a-phenyl-2,3-dihydro-1H-azirino[1,2-d]benzo[b][1,4]diazepine-4(1aH)-carbaldehyde
Alternate Name(s) (1aR,3S)-1,1-dichloro-3-methyl-1a-phenyl-2,3-dihydro-1H-azirino[1,2-d]benzo[b][1,4]diazepine-4(1aH)-carbaldehyde (1aR,3S)-1,1-dichloro-3-methyl-1a-phenyl-2,3-dihydroazirino[1,2-a][1,5]benzodiazepine-4-carboxaldehyde (1aR,3S)-1,1-bis(chloranyl)-3-methyl-1a-phenyl-2,3-dihydroazirino[1,2-a][1,5]benzodiazepine-4-carbaldehyde
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Formula C18H16Cl2N2O
InChI InChI=1S/C18H16Cl2N2O/c1-13-11-17(14-7-3-2-4-8-14)18(19,20)22(17)16-10-6-5-9-15(16)21(13)12-23/h2-10,12-13H,11H2,1H3/t13-,17+,22?/m0/s1
InChIKey ALSXBUWXPXOZSH-DNPSIRKISA-N
Literature Reference DOI 10.1002/cjoc.20000180320
Molecular Weight 347.245 g/mol
SMILES C1(Cl)(N2[C@]1(C[C@](C)(N(c1ccccc21)C=O)[H])c1ccccc1)Cl
SPLASH splash10-004j-0091000000-a820900aab0e955aeb68
Source of Spectrum CJC-18-369-1
Wiley ID 1773473