| SpectraBase Spectrum ID |
KYULvowYjV3 |
| Name |
2-Hexyl-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid heptyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
360.266445016 u |
| Formula |
C23H36O3 |
| InChI |
InChI=1S/C23H36O3/c1-3-5-7-9-11-17-25-23(24)20-14-16-22-19(18-20)13-15-21(26-22)12-10-8-6-4-2/h14,16,18,21H,3-13,15,17H2,1-2H3 |
| InChIKey |
RKRZVDJTZXEBGZ-UHFFFAOYSA-N |
| Molecular Weight |
360.538 g/mol |
| SMILES |
C=12OC(CCC2=CC(C(=O)OCCCCCCC)=CC1)CCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.846968 |
