| SpectraBase Spectrum ID |
Jefkl0BqQu7 |
| Name |
(1S,4R,8S,11R)-3-Benzyl-6-isipropyl-11-methyl-3-azatricyclo[6.2.1.0(4,11)]undec-5-ene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
295.229999938 u |
| Formula |
C21H29N |
| InChI |
InChI=1S/C21H29N/c1-15(2)17-11-18-9-10-19-14-22(20(12-17)21(18,19)3)13-16-7-5-4-6-8-16/h4-8,12,15,18-20H,9-11,13-14H2,1-3H3/t18-,19+,20+,21+/m0/s1 |
| InChIKey |
FMFCNYRBTCZHFL-DOIPELPJSA-N |
| SMILES |
[C@]12(N(C[C@@]3([C@]2([C@](CC3)([H])CC(=C1)C(C)C)C)[H])CC=1C=CC=CC1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950287 |
![(1S,4R,8S,11R)-3-Benzyl-6-isipropyl-11-methyl-3-azatricyclo[6.2.1.0(4,11)]undec-5-ene](/api/spectrum/Jefkl0BqQu7/structure.png?h=300&w=458 "(1S,4R,8S,11R)-3-Benzyl-6-isipropyl-11-methyl-3-azatricyclo[6.2.1.0(4,11)]undec-5-ene")
