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2-Isoxazolidinepropanoic acid, 4-(methoxycarbonyl)-3-(4-methoxyphenyl)-, methyl ester, cis-
SpectraBase Compound ID 1NzbYgwJsrD
InChI InChI=1S/C16H21NO6/c1-20-12-6-4-11(5-7-12)15-13(16(19)22-3)10-23-17(15)9-8-14(18)21-2/h4-7,13,15H,8-10H2,1-3H3/t13-,15-/m1/s1
InChIKey NBTXMJRTMVWVAK-UKRRQHHQSA-N
Mol Weight 323.35 g/mol
Molecular Formula C16H21NO6
Exact Mass 323.136887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GcY1rRg1oTE
Name 2-Isoxazolidinepropanoic acid, 4-(methoxycarbonyl)-3-(4-methoxyphenyl)-, methyl ester, cis-
Alternate Name(s) 2-(2-Methoxycarbonylethyl)-3-(p-methoxyphenyl)-4- and 5-methoxycarbonylisoxazolidine Methyl (3S,4S)-2-(3-methoxy-3-oxopropyl)-3-(4-methoxyphenyl)-4-isoxazolidinecarboxylate
CAS Registry Number 89902-82-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21NO6
InChI InChI=1S/C16H21NO6/c1-20-12-6-4-11(5-7-12)15-13(16(19)22-3)10-23-17(15)9-8-14(18)21-2/h4-7,13,15H,8-10H2,1-3H3/t13-,15-/m1/s1
InChIKey NBTXMJRTMVWVAK-UKRRQHHQSA-N
Molecular Weight 323.345 g/mol
SMILES [C@]1([C@](N(CCC(=O)OC)OC1)(c1ccc(cc1)OC)[H])(C(=O)OC)[H]
SPLASH splash10-006t-0947000000-223ccd7e4eb8bf44fc7d
Source of Spectrum KC-1984-53-0
Wiley ID 1322367