| SpectraBase Spectrum ID |
DGTL4d32Gkj |
| Name |
1,3-di(Pentyl)-3,4,6,7,8,8A-hexahydro-1H-isochromene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.260965714 u |
| Formula |
C19H34O |
| InChI |
InChI=1S/C19H34O/c1-3-5-7-12-17-15-16-11-9-10-13-18(16)19(20-17)14-8-6-4-2/h11,17-19H,3-10,12-15H2,1-2H3 |
| InChIKey |
PCUFBUPBNLWOGF-UHFFFAOYSA-N |
| Molecular Weight |
278.480 g/mol |
| SMILES |
C=12C(C(CCCCC)OC(C2)CCCCC)CCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956349 |
