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(E)-((1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl) 3-(3-nitrophenyl)acrylate
SpectraBase Compound ID FpA24IHxg8p
InChI InChI=1S/C19H25NO4/c1-13(2)17-9-7-14(3)11-18(17)24-19(21)10-8-15-5-4-6-16(12-15)20(22)23/h4-6,8,10,12-14,17-18H,7,9,11H2,1-3H3/b10-8+/t14-,17+,18-/m0/s1
InChIKey UPLODOBPEDEZQC-UWUZFKMQSA-N
Mol Weight 331.41 g/mol
Molecular Formula C19H25NO4
Exact Mass 331.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3T1py4A2oi
Name (E)-((1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl) 3-(3-nitrophenyl)acrylate
Alternate Name(s) (1S,2R,5S)-2-isopropyl-5-methylcyclohexyl (E)-3-(3-nitrophenyl)acrylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H25NO4
InChI InChI=1S/C19H25NO4/c1-13(2)17-9-7-14(3)11-18(17)24-19(21)10-8-15-5-4-6-16(12-15)20(22)23/h4-6,8,10,12-14,17-18H,7,9,11H2,1-3H3/b10-8+/t14-,17+,18-/m0/s1
InChIKey UPLODOBPEDEZQC-UWUZFKMQSA-N
Literature Reference DOI 10.1002/ajoc.201600591
Molecular Weight 331.412 g/mol
SMILES C(\C=C\c1cc(ccc1)[N+](=O)[O-])(=O)O[C@@]1([C@](CC[C@@](C1)(C)[H])(C(C)C)[H])[H]
SPLASH splash10-003j-5900000000-91bb818d9cace85003b7
Source of Spectrum AJO-6-311-35
Wiley ID 1806292