| SpectraBase Spectrum ID |
1GFW16076Li |
| Name |
7A-Acetoxy-1B(5-acetoxy-3-methyl-3-pentenyl)-2,5,5,8ab-tetramethyl-1,4,4.alpha.,5,6,7,8,8A-hexahydronapthalene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
390.277009700 u |
| Formula |
C24H38O4 |
| InChI |
InChI=1S/C24H38O4/c1-16(12-13-27-18(3)25)8-10-21-17(2)9-11-22-23(5,6)14-20(28-19(4)26)15-24(21,22)7/h9,12,20-22H,8,10-11,13-15H2,1-7H3/b16-12+/t20-,21-,22-,24+/m1/s1 |
| InChIKey |
YHWGGOVTUYUUOG-SNCNPINWSA-N |
| Molecular Weight |
390.564 g/mol |
| SMILES |
[C@]12([C@@](C(C)(C)C[C@](C2)(OC(=O)C)[H])(CC=C([C@]1(CC\C(=C\COC(=O)C)C)[H])C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967611 |
