| SpectraBase Spectrum ID |
2v36ms5BAzP |
| Name |
(2R*,8as*)-1-Benzyl-2-isopropyl-3-isopropylidene-4-methyl-1,2,3,5,6,7,8,8A-octahydroquinoline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
323.261300067 u |
| Formula |
C23H33N |
| InChI |
InChI=1S/C23H33N/c1-16(2)22-18(5)20-13-9-10-14-21(20)24(23(22)17(3)4)15-19-11-7-6-8-12-19/h6-8,11-12,17,21,23H,9-10,13-15H2,1-5H3/t21-,23+/m0/s1 |
| InChIKey |
QSEMVLIAOGWQNI-JTHBVZDNSA-N |
| Molecular Weight |
323.524 g/mol |
| SMILES |
[C@]1(N([C@@]2(C(=C(C1=C(C)C)C)CCCC2)[H])CC=1C=CC=CC1)(C(C)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.886575 |
