| SpectraBase Spectrum ID |
B8Dyd89we5I |
| Name |
Guaiyl citronellate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
374.318480590 u |
| Formula |
C25H42O2 |
| InChI |
InChI=1S/C25H42O2/c1-17(2)9-8-10-18(3)15-24(26)27-25(6,7)21-13-11-19(4)22-14-12-20(5)23(22)16-21/h9,18-21H,8,10-16H2,1-7H3 |
| InChIKey |
HVIVMJGPVGIBLX-UHFFFAOYSA-N |
| Molecular Weight |
374.609 g/mol |
| SMILES |
C(CC(CCC=C(C)C)C)(=O)OC(C)(C)C1CC2=C(CCC2C)C(C)CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949491 |
