| SpectraBase Spectrum ID |
3O571EtkWRD |
| Name |
(dl)-3-[(8E)-Heptadec-8enyl)-3,4-dihydroisocoumarin |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
384.302830526 u |
| Formula |
C26H40O2 |
| InChI |
InChI=1S/C26H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24-22-23-19-17-18-21-25(23)26(27)28-24/h9-10,17-19,21,24H,2-8,11-16,20,22H2,1H3/b10-9+ |
| InChIKey |
YKPXMNAVJQFPLY-MDZDMXLPSA-N |
| Molecular Weight |
384.604 g/mol |
| SMILES |
C1=CC=C2C(OC(CC2=C1)CCCCCCC\C=C\CCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936164 |
