| SpectraBase Spectrum ID |
1UvcbqZOKM0 |
| Name |
(E,1S)-1-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-4-heptadecen-1-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.313395209 u |
| Formula |
C22H42O3 |
| InChI |
InChI=1S/C22H42O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)21-19-24-22(2,3)25-21/h15-16,20-21,23H,4-14,17-19H2,1-3H3/b16-15+/t20-,21+/m0/s1 |
| InChIKey |
WYLKELAVJKWUQT-RJCGUJTNSA-N |
| Molecular Weight |
354.575 g/mol |
| SMILES |
C1(O[C@](CO1)([C@@](O)(CC\C=C\CCCCCCCCCCCC)[H])[H])(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.866045 |
![(E,1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-heptadecen-1-ol](/api/spectrum/1UvcbqZOKM0/structure.png?h=300&w=458 "(E,1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-heptadecen-1-ol")
