| SpectraBase Spectrum ID |
3b9FHGOr54o |
| Name |
Glutaric acid, myrtenyl 2-methylpent-3-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
350.245709571 u |
| Formula |
C21H34O4 |
| InChI |
InChI=1S/C21H34O4/c1-6-18(14(2)3)25-20(23)9-7-8-19(22)24-13-15-10-11-16-12-17(15)21(16,4)5/h10,14,16-18H,6-9,11-13H2,1-5H3 |
| InChIKey |
QBQDMMHIMWCVRZ-UHFFFAOYSA-N |
| Molecular Weight |
350.499 g/mol |
| SMILES |
C(CCC(OC(CC)C(C)C)=O)C(OCC=1C2C(C(CC1)C2)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.841337 |
