For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
rel-(3S,5S)-2-(Alloxycarbonyl)-1-benzyl-4-(1-chloroethyl)-3-pyrazolidinecarboxylic acid methyl ester
SpectraBase Compound ID HsuEe8i0FGw
InChI InChI=1S/C18H23ClN2O4/c1-4-10-25-18(23)21-16(17(22)24-3)15(13(2)19)12-20(21)11-14-8-6-5-7-9-14/h4-9,13,15-16H,1,10-12H2,2-3H3/t13?,15-,16+/m1/s1
InChIKey DVQZPSCDRZMJEM-CZVYVAOFSA-N
Mol Weight 366.85 g/mol
Molecular Formula C18H23ClN2O4
Exact Mass 366.134635 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID DAfltqk3JMI
Name rel-(3S,5S)-2-(Alloxycarbonyl)-1-benzyl-4-(1-chloroethyl)-3-pyrazolidinecarboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23ClN2O4
InChI InChI=1S/C18H23ClN2O4/c1-4-10-25-18(23)21-16(17(22)24-3)15(13(2)19)12-20(21)11-14-8-6-5-7-9-14/h4-9,13,15-16H,1,10-12H2,2-3H3/t13?,15-,16+/m1/s1
InChIKey DVQZPSCDRZMJEM-CZVYVAOFSA-N
Molecular Weight 366.845 g/mol
SMILES [C@]1(N(N(Cc2ccccc2)C[C@@]1(C(Cl)C)[H])C(=O)OCC=C)(C(=O)OC)[H]
SPLASH splash10-00kf-9046000000-c4879985fc9ecc4c774a
Source of Spectrum F-49-8620-41
Synonyms 1-Allyl 5-methyl (4S,5S)-2-benzyl-4-[(1R)-1-chloroethyl]-1,5-pyrazolidinedicarboxylate
Wiley ID 788302