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Cyclohexyl-carbamic acid (1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl ester
SpectraBase Compound ID 6FYTlMJ5S6o
InChI InChI=1S/C17H31NO2/c1-12(2)15-10-9-13(3)11-16(15)20-17(19)18-14-7-5-4-6-8-14/h12-16H,4-11H2,1-3H3,(H,18,19)/t13-,15+,16-/m1/s1
InChIKey PDDIETGPTXAEPC-VNQPRFMTSA-N
Mol Weight 281.44 g/mol
Molecular Formula C17H31NO2
Exact Mass 281.235479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1xyXoqsnVg
Name Cyclohexyl-carbamic acid (1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H31NO2
InChI InChI=1S/C17H31NO2/c1-12(2)15-10-9-13(3)11-16(15)20-17(19)18-14-7-5-4-6-8-14/h12-16H,4-11H2,1-3H3,(H,18,19)/t13-,15+,16-/m1/s1
InChIKey PDDIETGPTXAEPC-VNQPRFMTSA-N
Ionization Type EI
Molecular Weight 281.440 g/mol
SMILES N(C(O[C@]1([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])[H])=O)C1CCCCC1
SPLASH splash10-053f-9400000000-ffd33156b859650d1ba1
Source of Spectrum WO2010089421A2
Wiley ID 1842851