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(1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl2-(4-nitrophenyl)-2-oxoacetate
SpectraBase Compound ID Lb1jojdAYYf
InChI InChI=1S/C18H23NO5/c1-11(2)15-9-4-12(3)10-16(15)24-18(21)17(20)13-5-7-14(8-6-13)19(22)23/h5-8,11-12,15-16H,4,9-10H2,1-3H3/t12-,15+,16-/m0/s1
InChIKey MLYZCQLPTZLCPE-MAZHCROVSA-N
Mol Weight 333.38 g/mol
Molecular Formula C18H23NO5
Exact Mass 333.157623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DEkvmeqZ9Dd
Name (1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl2-(4-nitrophenyl)-2-oxoacetate
Alternate Name(s) (1S,2R,5S)-2-isopropyl-5-methylcyclohexyl 2-(4-nitrophenyl)-2-oxoacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23NO5
InChI InChI=1S/C18H23NO5/c1-11(2)15-9-4-12(3)10-16(15)24-18(21)17(20)13-5-7-14(8-6-13)19(22)23/h5-8,11-12,15-16H,4,9-10H2,1-3H3/t12-,15+,16-/m0/s1
InChIKey MLYZCQLPTZLCPE-MAZHCROVSA-N
Literature Reference DOI 10.1002/ajoc.201600591
Molecular Weight 333.384 g/mol
SMILES C(C(=O)c1ccc(cc1)[N+](=O)[O-])(=O)O[C@@]1([C@](CC[C@@](C1)(C)[H])(C(C)C)[H])[H]
SPLASH splash10-053r-9300000000-a471536af1bbae731f2c
Source of Spectrum AJO-6-311-31
Wiley ID 1806288