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2-Isoxazolidinepropanoic acid, 4-(methoxycarbonyl)-3-(2-thienyl)-, methyl ester, cis-
SpectraBase Compound ID KFyHo8W48Hk
InChI InChI=1S/C13H17NO5S/c1-17-11(15)5-6-14-12(10-4-3-7-20-10)9(8-19-14)13(16)18-2/h3-4,7,9,12H,5-6,8H2,1-2H3/t9-,12+/m1/s1
InChIKey VMJXYVIKVNQBKR-SKDRFNHKSA-N
Mol Weight 299.34 g/mol
Molecular Formula C13H17NO5S
Exact Mass 299.082744 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7m0fiiMTJJ9
Name 2-Isoxazolidinepropanoic acid, 4-(methoxycarbonyl)-3-(2-thienyl)-, methyl ester, cis-
CAS Registry Number 89902-99-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO5S
InChI InChI=1S/C13H17NO5S/c1-17-11(15)5-6-14-12(10-4-3-7-20-10)9(8-19-14)13(16)18-2/h3-4,7,9,12H,5-6,8H2,1-2H3/t9-,12+/m1/s1
InChIKey VMJXYVIKVNQBKR-SKDRFNHKSA-N
Molecular Weight 299.341 g/mol
SMILES [C@]1([C@](N(CCC(=O)OC)OC1)(c1sccc1)[H])(C(=O)OC)[H]
SPLASH splash10-001i-0940000000-5ea9ec865f1b36edf12b
Source of Spectrum KC-1984-54-0
Synonyms 2-(2-Methoxycarbonylethyl)-3-(2-thienyl)-4- and -5-methoxycarbonylisoxazolidine Methyl (3S,4S)-2-(3-methoxy-3-oxopropyl)-3-(2-thienyl)-4-isoxazolidinecarboxylate
Wiley ID 1301756