| SpectraBase Spectrum ID |
8UTVTJX2Sjp |
| Name |
(1S,8as)-3-Acetoxyglycerol 2,5,5,8A-tetramethyl-1,4,5,6,7,8-hexahydronaphthalene-1-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.224974125 u |
| Formula |
C20H32O5 |
| InChI |
InChI=1S/C20H32O5/c1-13-7-8-16-19(3,4)9-6-10-20(16,5)17(13)18(23)25-12-15(22)11-24-14(2)21/h7,15-17,22H,6,8-12H2,1-5H3/t15?,16?,17-,20+/m1/s1 |
| InChIKey |
MMLLQMKYAANYJZ-CVVKJMNTSA-N |
| Molecular Weight |
352.471 g/mol |
| SMILES |
[C@@]12([C@@](C(OCC(COC(=O)C)O)=O)(C(C)=CCC2C(C)(C)CCC1)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.987343 |
