| SpectraBase Spectrum ID |
K5lhEbLhxEa |
| Name |
(3R,5ar,9S,9as)-3-Isopropyl-4,5,5A,8,9,9A-hexahydro-2,9-ethanobenzo[C]azepin-1(3H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
233.177964364 u |
| Formula |
C15H23NO |
| InChI |
InChI=1S/C15H23NO/c1-10(2)13-7-6-11-4-3-5-12-8-9-16(13)15(17)14(11)12/h3-4,10-14H,5-9H2,1-2H3/t11-,12-,13+,14+/m0/s1 |
| InChIKey |
SYVFJKUVDGLLCM-IGQOVBAYSA-N |
| Molecular Weight |
233.355 g/mol |
| SMILES |
C1(N2[C@](CC[C@]3([C@@]1([C@@](CC=C3)(CC2)[H])[H])[H])(C(C)C)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.872357 |
![(3R,5ar,9S,9as)-3-Isopropyl-4,5,5A,8,9,9A-hexahydro-2,9-ethanobenzo[C]azepin-1(3H)-one](/api/spectrum/K5lhEbLhxEa/structure.png?h=300&w=458 "(3R,5ar,9S,9as)-3-Isopropyl-4,5,5A,8,9,9A-hexahydro-2,9-ethanobenzo[C]azepin-1(3H)-one")
