| SpectraBase Spectrum ID |
Bi0Zs9rBX8w |
| 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 |
| 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/c1-13-11-17(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 |
| Molecular Weight |
347.245 g/mol |
| SMILES |
C1(Cl)(N2[C@]1(C[C@](C)(N(C1=CC=CC=C21)C=O)[H])C1=CC=CC=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.868406 |
![(trans)-1,1-dichloro-3-methyl-1a-phenyl-2,3-dihydro-1H-azirino[1,2-d]benzo[b][1,4]diazepine-4(1aH)-carbaldehyde](/api/spectrum/Bi0Zs9rBX8w/structure.png?h=300&w=458 "(trans)-1,1-dichloro-3-methyl-1a-phenyl-2,3-dihydro-1H-azirino[1,2-d]benzo[b][1,4]diazepine-4(1aH)-carbaldehyde")
