| SpectraBase Spectrum ID |
3EmseipZbu7 |
| 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 |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.063968542 u |
| 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 |
| Molecular Weight |
347.245 g/mol |
| SMILES |
C1(Cl)(N2[C@@]1(C[C@](C1=CC=CC=C1)(N(C=O)C1=CC=CC=C21)[H])C)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.874355 |
![(cis)-1,1-dichloro-1a-methyl-3-phenyl-2,3-dihydro-1H-azirino[1,2-d]benzo[b][1,4]diazepine-4(1aH)-carbaldehyde](/api/spectrum/3EmseipZbu7/structure.png?h=300&w=458 "(cis)-1,1-dichloro-1a-methyl-3-phenyl-2,3-dihydro-1H-azirino[1,2-d]benzo[b][1,4]diazepine-4(1aH)-carbaldehyde")
