| SpectraBase Spectrum ID |
38qaYe06nan |
| Name |
4,4-Difluoro-2-iodo-5-keto-5-phenyl-valeric acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
367.972095537 u |
| Formula |
C12H11F2IO3 |
| InChI |
InChI=1S/C12H11F2IO3/c1-18-11(17)9(15)7-12(13,14)10(16)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3 |
| InChIKey |
HWIOVXCBZNBFKX-UHFFFAOYSA-N |
| Molecular Weight |
368.118 g/mol |
| SMILES |
C(CC(C(=O)OC)I)(C(=O)C=1C=CC=CC1)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959628 |
