| SpectraBase Spectrum ID |
ETYpx9zSEAl |
| Name |
(3R,4R,5R)-3-[(11E)-Hexadeca-11,15-dien-9-ynyl]-4-hydroxy-5-methyloxolan-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
332.235144887 u |
| Formula |
C21H32O3 |
| InChI |
InChI=1S/C21H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-20(22)18(2)24-21(19)23/h3,6-7,18-20,22H,1,4-5,10-17H2,2H3/b7-6+/t18-,19-,20+/m1/s1 |
| InChIKey |
XVTXMBZTDMASHY-JCHUFIKGSA-N |
| Molecular Weight |
332.484 g/mol |
| SMILES |
C1(O[C@@]([C@@]([C@]1(CCCCCCCCC#C\C=C\CCC=C)[H])(O)[H])(C)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.920783 |
![(3R,4R,5R)-3-[(11E)-Hexadeca-11,15-dien-9-ynyl]-4-hydroxy-5-methyloxolan-2-one](/api/spectrum/ETYpx9zSEAl/structure.png?h=300&w=458 "(3R,4R,5R)-3-[(11E)-Hexadeca-11,15-dien-9-ynyl]-4-hydroxy-5-methyloxolan-2-one")
