| SpectraBase Spectrum ID |
77CKDYnTC5M |
| Name |
(3S)-3-Benzyloxycarbonylamino-1-chloro-4-(p-fluorophenyl)-2-butanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
349.088099271 u |
| Formula |
C18H17ClFNO3 |
| InChI |
InChI=1S/C18H17ClFNO3/c19-11-17(22)16(10-13-6-8-15(20)9-7-13)21-18(23)24-12-14-4-2-1-3-5-14/h1-9,16H,10-12H2,(H,21,23)/t16-/m0/s1 |
| InChIKey |
SSXSAFSLNOWRIX-INIZCTEOSA-N |
| Molecular Weight |
349.789 g/mol |
| SMILES |
C([C@](NC(OCC1=CC=CC=C1)=O)(C(CCl)=O)[H])C1=CC=C(C=C1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921183 |
