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(1S,2S,5S)-2-isopropyl-5-methylcyclohexyl 1-phenylbut-3-enylcarbamate
SpectraBase Compound ID G0xLadbNyWm
InChI InChI=1S/C21H31NO2/c1-5-9-19(17-10-7-6-8-11-17)22-21(23)24-20-14-16(4)12-13-18(20)15(2)3/h5-8,10-11,15-16,18-20H,1,9,12-14H2,2-4H3,(H,22,23)/t16-,18-,19?,20-/m0/s1
InChIKey MPNSOZPMMGDNFB-ZXBFEJPJSA-N
Mol Weight 329.48 g/mol
Molecular Formula C21H31NO2
Exact Mass 329.235479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LM5tAJ3t5ZP
Name (1S,2S,5S)-2-isopropyl-5-methylcyclohexyl 1-phenylbut-3-enylcarbamate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31NO2
InChI InChI=1S/C21H31NO2/c1-5-9-19(17-10-7-6-8-11-17)22-21(23)24-20-14-16(4)12-13-18(20)15(2)3/h5-8,10-11,15-16,18-20H,1,9,12-14H2,2-4H3,(H,22,23)/t16-,18-,19?,20-/m0/s1
InChIKey MPNSOZPMMGDNFB-ZXBFEJPJSA-N
Literature Reference DOI 10.1002/adsc.200800089
Molecular Weight 329.484 g/mol
SMILES N(C(=O)O[C@@]1([C@@](CC[C@@](C1)(C)[H])(C(C)C)[H])[H])C(CC=C)c1ccccc1
SPLASH splash10-0a59-9620000000-554687a0d5b9298d91e1
Source of Spectrum ASC-350-1235/SM5-5n_1
Synonyms (1S,2S,5S)-2-isopropyl-5-methylcyclohexyl (1-phenylbut-3-en-1-yl)carbamate
Wiley ID 1766331