| SpectraBase Spectrum ID |
60PqdvxmvO8 |
| Name |
(8as,9R,10S,12Ar)-10-[(cyclohexylmethyl)(methyl)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 |
346.298413851 u |
| Formula |
C22H38N2O |
| InChI |
InChI=1S/C22H38N2O/c1-17-19-10-6-11-21(25)24-15-7-13-22(19,24)14-12-20(17)23(2)16-18-8-4-3-5-9-18/h17-20H,3-16H2,1-2H3/t17-,19+,20+,22-/m1/s1 |
| InChIKey |
WEKOCJSKNKSFAC-IWLVTHKOSA-N |
| Molecular Weight |
346.559 g/mol |
| SMILES |
[C@]123N(C(CCC[C@]3([C@]([C@](CC1)(N(C)CC1CCCCC1)[H])(C)[H])[H])=O)CCC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916652 |
![(8as,9R,10S,12Ar)-10-[(cyclohexylmethyl)(methyl)amino]-9-methyldecahydro-1H,5H-benzo[B]pyrrolo[1,2-A]azepin-5-one](/api/spectrum/60PqdvxmvO8/structure.png?h=300&w=458 "(8as,9R,10S,12Ar)-10-[(cyclohexylmethyl)(methyl)amino]-9-methyldecahydro-1H,5H-benzo[B]pyrrolo[1,2-A]azepin-5-one")
