| SpectraBase Spectrum ID |
JXTS3gwa3Lm |
| Name |
(1S,2R)-1-(Benzyloxycarbonylamino)-2-chlorocarbonyl-cyclopropanecarboxylic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
311.056050250 u |
| Formula |
C14H14ClNO5 |
| InChI |
InChI=1S/C14H14ClNO5/c1-20-12(18)14(7-10(14)11(15)17)16-13(19)21-8-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,16,19)/t10-,14-/m0/s1 |
| InChIKey |
GHRNRYUHWHLCBI-HZMBPMFUSA-N |
| Molecular Weight |
311.721 g/mol |
| SMILES |
[C@@]1([C@](C(=O)Cl)(C1)[H])(NC(=O)OCC1=CC=CC=C1)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.88254 |
