| SpectraBase Spectrum ID |
L5aHxY67pl2 |
| Name |
(E)-4-(Octenyl)coumarin |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
256.146329882 u |
| Formula |
C17H20O2 |
| InChI |
InChI=1S/C17H20O2/c1-2-3-4-5-6-7-10-14-13-17(18)19-16-12-9-8-11-15(14)16/h7-13H,2-6H2,1H3/b10-7+ |
| InChIKey |
XCMLHFSXNOAZOT-JXMROGBWSA-N |
| Molecular Weight |
256.345 g/mol |
| SMILES |
C1(=CC(=O)OC2=C1C=CC=C2)\C=C\CCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952777 |
