| SpectraBase Spectrum ID |
77m2Xa1DbWr |
| Name |
Glutaric acid, 1,1,1-trifluoroprop-2-yl 3-methyl-5-methoxypentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.165408389 u |
| Formula |
C15H25F3O5 |
| InChI |
InChI=1S/C15H25F3O5/c1-11(7-9-21-3)8-10-22-13(19)5-4-6-14(20)23-12(2)15(16,17)18/h11-12H,4-10H2,1-3H3 |
| InChIKey |
AENBGEZITJXMQF-UHFFFAOYSA-N |
| Molecular Weight |
342.355 g/mol |
| SMILES |
C(CCC(OC(C)C(F)(F)F)=O)C(OCCC(C)CCOC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.827263 |
