| SpectraBase Spectrum ID |
JGZbJNVjdir |
| Name |
Sarcosine, N-(3-fluorobenzoyl)-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
239.095771475 u |
| Formula |
C12H14FNO3 |
| InChI |
InChI=1S/C12H14FNO3/c1-3-17-11(15)8-14(2)12(16)9-5-4-6-10(13)7-9/h4-7H,3,8H2,1-2H3 |
| InChIKey |
SMLPQPNAICGCTM-UHFFFAOYSA-N |
| Molecular Weight |
239.246 g/mol |
| SMILES |
C1=C(C=CC=C1C(=O)N(CC(OCC)=O)C)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.836963 |
