| SpectraBase Spectrum ID |
Jr3F1uk6o2P |
| Name |
Acetic acid (3R,3as,5S,6S,7ar)-3A,6-dihydroxy-3-isopropyl-7A-methyl-octahydro-inden-5-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
270.183109313 u |
| Formula |
C15H26O4 |
| InChI |
InChI=1S/C15H26O4/c1-9(2)11-5-6-14(4)7-12(17)13(19-10(3)16)8-15(11,14)18/h9,11-13,17-18H,5-8H2,1-4H3/t11-,12+,13+,14-,15+/m1/s1 |
| InChIKey |
WFRVRCOEJYLIDX-FQKPHLNHSA-N |
| Molecular Weight |
270.369 g/mol |
| SMILES |
[C@@]12([C@@](C[C@@]([C@](C2)(OC(=O)C)[H])(O)[H])(CC[C@@]1(C(C)C)[H])C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896621 |
