| SpectraBase Spectrum ID |
C2Lnv1E60v9 |
| Name |
(3S)-5,5-Dimethyltetrahydro-3-furylmethyl (2S)-2-methoxy-2-phenyl-3,3,3-trifluoropropanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.139193641 u |
| Formula |
C17H21F3O4 |
| InChI |
InChI=1S/C17H21F3O4/c1-15(2)9-12(11-24-15)10-23-14(21)16(22-3,17(18,19)20)13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3/t12-,16+/m1/s1 |
| InChIKey |
IFAPAAYPPMSRKE-WBMJQRKESA-N |
| Molecular Weight |
346.346 g/mol |
| SMILES |
C([C@](C(F)(F)F)(C=1C=CC=CC1)OC)(=O)OC[C@@]1(COC(C1)(C)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.811065 |
