| SpectraBase Spectrum ID |
7abTbSQ1g43 |
| Name |
(9ar)-8-(Tert-butyl)-9A-phenyloctahydro-5H-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 |
285.209264492 u |
| Formula |
C19H27NO |
| InChI |
InChI=1S/C19H27NO/c1-18(2,3)16-10-11-17(21)20-13-7-12-19(20,14-16)15-8-5-4-6-9-15/h4-6,8-9,16H,7,10-14H2,1-3H3/t16?,19-/m1/s1 |
| InChIKey |
YYCFJYMOSHMWKP-LRTDYKAYSA-N |
| SMILES |
[C@]12(N(C(CCC(C2)C(C)(C)C)=O)CCC1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.843505 |
![(9ar)-8-(Tert-butyl)-9A-phenyloctahydro-5H-pyrrolo[1,2-A]azepin-5-one](/api/spectrum/7abTbSQ1g43/structure.png?h=300&w=458 "(9ar)-8-(Tert-butyl)-9A-phenyloctahydro-5H-pyrrolo[1,2-A]azepin-5-one")
