| SpectraBase Spectrum ID |
LA6Hg3VNXIN |
| Name |
(2R*,3S*)-2,3,7-Trimethyl-6-octene-1,3-diol 1-trimetyhylacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
270.219494823 u |
| Formula |
C16H30O3 |
| InChI |
InChI=1S/C16H30O3/c1-12(2)9-8-10-16(7,18)13(3)11-19-14(17)15(4,5)6/h9,13,18H,8,10-11H2,1-7H3/t13-,16+/m1/s1 |
| InChIKey |
VVAHGHHFADQPRZ-CJNGLKHVSA-N |
| Molecular Weight |
270.413 g/mol |
| SMILES |
C(C(C)(C)C)(OC[C@]([C@@](O)(CCC=C(C)C)C)(C)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928117 |
