| SpectraBase Spectrum ID |
Hnr8OCmJ1XY |
| Name |
Trans-rel-(3S,5S)-2-(alloxycarbonyl)-1-benzyl-5-chloro-5-methylhexahydro-3-pyrazolidinecarboxylic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
366.134634925 u |
| Formula |
C18H23ClN2O4 |
| InChI |
InChI=1S/C18H23ClN2O4/c1-4-10-25-17(23)21-15(16(22)24-3)11-18(2,19)13-20(21)12-14-8-6-5-7-9-14/h4-9,15H,1,10-13H2,2-3H3/t15-,18-/m0/s1 |
| InChIKey |
XYMAQPBFPZEEOM-YJBOKZPZSA-N |
| Molecular Weight |
366.845 g/mol |
| SMILES |
[C@]1(N(N(C[C@](C1)(Cl)C)CC1=CC=CC=C1)C(=O)OCC=C)(C(=O)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.862014 |
