| SpectraBase Spectrum ID |
9C65oRl87Zv |
| Name |
Glutaric acid, myrtenyl 1,1,1-trifluoroprop-2-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
362.170493770 u |
| Formula |
C18H25F3O4 |
| InChI |
InChI=1S/C18H25F3O4/c1-11(18(19,20)21)25-16(23)6-4-5-15(22)24-10-12-7-8-13-9-14(12)17(13,2)3/h7,11,13-14H,4-6,8-10H2,1-3H3 |
| InChIKey |
KDPBABZVCVHWMJ-UHFFFAOYSA-N |
| Molecular Weight |
362.389 g/mol |
| SMILES |
C(CCC(OC(C)C(F)(F)F)=O)C(OCC=1C2C(C(CC1)C2)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94581 |
