| SpectraBase Spectrum ID |
5fbddFvU88o |
| Name |
(8as,9R,10S,12Ar)-10-[(cyclohexylmethyl)amino]-9-methyldecahydro-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 |
332.282763786 u |
| Formula |
C21H36N2O |
| InChI |
InChI=1S/C21H36N2O/c1-16-18-9-5-10-20(24)23-14-6-12-21(18,23)13-11-19(16)22-15-17-7-3-2-4-8-17/h16-19,22H,2-15H2,1H3/t16-,18+,19+,21-/m1/s1 |
| InChIKey |
LLSURBULOYHFJX-BOFXEDATSA-N |
| Molecular Weight |
332.532 g/mol |
| SMILES |
[C@]123N(C(CCC[C@]3([C@]([C@](CC1)(NCC1CCCCC1)[H])(C)[H])[H])=O)CCC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.885544 |
![(8as,9R,10S,12Ar)-10-[(cyclohexylmethyl)amino]-9-methyldecahydro-1H,5H-benzo[B]pyrrolo[1,2-A]azepin-5-one](/api/spectrum/5fbddFvU88o/structure.png?h=300&w=458 "(8as,9R,10S,12Ar)-10-[(cyclohexylmethyl)amino]-9-methyldecahydro-1H,5H-benzo[B]pyrrolo[1,2-A]azepin-5-one")
