| SpectraBase Spectrum ID |
4EiZC1trnC1 |
| Name |
(3R,5S)-5-(Hydroxymethyl)-3-(octadec-17-en-9-yn-1-yl)dihydrofuran-2(3H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
362.282095081 u |
| Formula |
C23H38O3 |
| InChI |
InChI=1S/C23H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-22(20-24)26-23(21)25/h2,21-22,24H,1,3-8,11-20H2/t21-,22+/m1/s1 |
| InChIKey |
IGIJVQKQLNOUGZ-YADHBBJMSA-N |
| Molecular Weight |
362.554 g/mol |
| SMILES |
C(O)[C@@]1(C[C@@](CCCCCCCCC#CCCCCCCC=C)(C(O1)=O)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939946 |
