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3-Pyrazolidineacetic acid, 4,5-dicyano-3-(methoxycarbonyl)-2-methyl-, methyl ester, (3.alpha.,4.alpha.,5.beta.)-(.+-.)-
SpectraBase Compound ID LJQSpUmbiiH
InChI InChI=1S/C11H14N4O4/c1-15-11(10(17)19-3,4-9(16)18-2)7(5-12)8(6-13)14-15/h7-8,14H,4H2,1-3H3/t7-,8-,11-/m1/s1
InChIKey RYGRETXMCZHCQV-SOCHQFKDSA-N
Mol Weight 266.26 g/mol
Molecular Formula C11H14N4O4
Exact Mass 266.101505 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EDqC3ynY0xP
Name 3-Pyrazolidineacetic acid, 4,5-dicyano-3-(methoxycarbonyl)-2-methyl-, methyl ester, (3.alpha.,4.alpha.,5.beta.)-(.+-.)-
CAS Registry Number 70954-86-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14N4O4
InChI InChI=1S/C11H14N4O4/c1-15-11(10(17)19-3,4-9(16)18-2)7(5-12)8(6-13)14-15/h7-8,14H,4H2,1-3H3/t7-,8-,11-/m1/s1
InChIKey RYGRETXMCZHCQV-SOCHQFKDSA-N
Molecular Weight 266.257 g/mol
SMILES N1[C@@]([C@]([C@](N1C)(CC(=O)OC)C(=O)OC)(C#N)[H])(C#N)[H]
SPLASH splash10-0aou-0390000000-9806ba9b1133f93f18cb
Source of Spectrum K-112-1729-0
Synonyms Methyl (3R,4R,5S)-4,5-dicyano-3-(2-methoxy-2-oxoethyl)-2-methyl-3-pyrazolidinecarboxylate Methyl ester of(3S,4R,5S,3R,4S,5R)-3,4-dicyano-5-(methoxycarbonylmethyl)-1-methyl-5-pyrazolidincarboxylic acid
Wiley ID 1269485