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(1R,3R,4S)-4-hydroxy-3-(4-nitrophenyl)-1-cyclohexanecarboxylic acid methyl ester
SpectraBase Compound ID C92bjFczqT3
InChI InChI=1S/C14H17NO5/c1-20-14(17)10-4-7-13(16)12(8-10)9-2-5-11(6-3-9)15(18)19/h2-3,5-6,10,12-13,16H,4,7-8H2,1H3/t10-,12-,13+/m1/s1
InChIKey GHMRGGQPKCGOBQ-RTXFEEFZSA-N
Mol Weight 279.29 g/mol
Molecular Formula C14H17NO5
Exact Mass 279.110673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID c4pc6ku8Oe
Name (1R,3R,4S)-4-hydroxy-3-(4-nitrophenyl)-1-cyclohexanecarboxylic acid methyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17NO5
InChI InChI=1S/C14H17NO5/c1-20-14(17)10-4-7-13(16)12(8-10)9-2-5-11(6-3-9)15(18)19/h2-3,5-6,10,12-13,16H,4,7-8H2,1H3/t10-,12-,13+/m1/s1
InChIKey GHMRGGQPKCGOBQ-RTXFEEFZSA-N
Molecular Weight 279.292 g/mol
SMILES O[C@@]1([C@](C[C@](C(=O)OC)(CC1)[H])(c1ccc(N(=O)=O)cc1)[H])[H]
SPLASH splash10-0uxr-0970000000-71e575fd74da5f3ebdbb
Source of Spectrum KC-0-507-5
Synonyms (1R,3R,4S)-4-hydroxy-3-(4-nitrophenyl)cyclohexanecarboxylic acid methyl ester Methyl (1R,3R,4S)-3-(4-nitrophenyl)-4-oxidanyl-cyclohexane-1-carboxylate Methyl (1R,3R,4S)-4-hydroxy-3-(4-nitrophenyl)cyclohexane-1-carboxylate Methyl (1R,3R,4S)-4-hydroxy-3-(4-nitrophenyl)cyclohexanecarboxylate
Wiley ID 824370