| SpectraBase Spectrum ID |
JwSa3DfqV79 |
| Name |
5-Methoxy-7-pentyl-3-vinyl-2H-chromene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
258.161979946 u |
| Formula |
C17H22O2 |
| InChI |
InChI=1S/C17H22O2/c1-4-6-7-8-14-10-16(18-3)15-9-13(5-2)12-19-17(15)11-14/h5,9-11H,2,4,6-8,12H2,1,3H3 |
| InChIKey |
QIOVJNGPTPAXPF-UHFFFAOYSA-N |
| Molecular Weight |
258.361 g/mol |
| SMILES |
C1OC2=CC(=CC(=C2C=C1C=C)OC)CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974548 |
