| SpectraBase Spectrum ID |
FA0KNKpXajy |
| Name |
5,8-Methano-3H-2-benzopyran-3-one, 4,4A,5,6,7,8-hexahydro-4-(1-methylpropyl)-1-phenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
296.177630011 u |
| Formula |
C20H24O2 |
| InChI |
InChI=1S/C20H24O2/c1-3-12(2)16-17-14-9-10-15(11-14)18(17)19(22-20(16)21)13-7-5-4-6-8-13/h4-8,12,14-17H,3,9-11H2,1-2H3/t12?,14-,15+,16?,17?/m0/s1 |
| InChIKey |
QHXFJBUWLHLTQT-AERFVWJMSA-N |
| SMILES |
C1[C@@]2(C3C([C@](C1)(C2)[H])=C(OC(C3C(CC)C)=O)C1=CC=CC=C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.80068 |
