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2-Isoxazolidinepropanoic acid, 4-(methoxycarbonyl)-3-[4-(trifluoromethyl)phenyl]-, methyl ester, cis-
SpectraBase Compound ID AyHngO6sMpZ
InChI InChI=1S/C16H18F3NO5/c1-23-13(21)7-8-20-14(12(9-25-20)15(22)24-2)10-3-5-11(6-4-10)16(17,18)19/h3-6,12,14H,7-9H2,1-2H3/t12-,14-/m1/s1
InChIKey XJABVKJFAPOGRK-TZMCWYRMSA-N
Mol Weight 361.32 g/mol
Molecular Formula C16H18F3NO5
Exact Mass 361.113707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3hSv58RymK6
Name 2-Isoxazolidinepropanoic acid, 4-(methoxycarbonyl)-3-[4-(trifluoromethyl)phenyl]-, methyl ester, cis-
CAS Registry Number 89902-88-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18F3NO5
InChI InChI=1S/C16H18F3NO5/c1-23-13(21)7-8-20-14(12(9-25-20)15(22)24-2)10-3-5-11(6-4-10)16(17,18)19/h3-6,12,14H,7-9H2,1-2H3/t12-,14-/m1/s1
InChIKey XJABVKJFAPOGRK-TZMCWYRMSA-N
Molecular Weight 361.317 g/mol
SMILES [C@]1([C@](N(CCC(=O)OC)OC1)(c1ccc(C(F)(F)F)cc1)[H])(C(=O)OC)[H]
SPLASH splash10-000i-0095000000-f578dd11dad889a8c41e
Source of Spectrum KC-1984-54-0
Synonyms 2-(2-Methoxycarbonylethyl)-3-(p-trifluoromethylphenyl)-4- and 5-methoxycarbonylisoxazolidine Methyl (3S,4S)-2-(3-methoxy-3-oxopropyl)-3-[4-(trifluoromethyl)phenyl]-4-isoxazolidinecarboxylate
Wiley ID 1348872