| SpectraBase Spectrum ID |
HjOzhl5Op7s |
| Name |
(8as,10R,12Ar)-10-[(2-methylbenzyl)amino]decahydro-1H,5H-benzo[B]pyrrolo[1,2-A]azepin-5-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.235813593 u |
| Formula |
C21H30N2O |
| InChI |
InChI=1S/C21H30N2O/c1-16-6-2-3-7-17(16)15-22-19-10-12-21-11-5-13-23(21)20(24)9-4-8-18(21)14-19/h2-3,6-7,18-19,22H,4-5,8-15H2,1H3/t18-,19+,21+/m0/s1 |
| InChIKey |
RNHMTWZOGVVBJK-QKNQBKEWSA-N |
| Molecular Weight |
326.484 g/mol |
| SMILES |
[C@]123N(C(CCC[C@]3(C[C@@](CC1)(NCC1=C(C=CC=C1)C)[H])[H])=O)CCC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.914515 |
![(8as,10R,12Ar)-10-[(2-methylbenzyl)amino]decahydro-1H,5H-benzo[B]pyrrolo[1,2-A]azepin-5-one](/api/spectrum/HjOzhl5Op7s/structure.png?h=300&w=458 "(8as,10R,12Ar)-10-[(2-methylbenzyl)amino]decahydro-1H,5H-benzo[B]pyrrolo[1,2-A]azepin-5-one")
