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(1R,2S,4S)-1-isopropyl-4-methyl-2-prop-2-ynoxy-cyclohexane

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(1R,2S,4S)-1-isopropyl-4-methyl-2-prop-2-ynoxy-cyclohexane
SpectraBase Compound ID 8113RRccj22
InChI InChI=1S/C13H22O/c1-5-8-14-13-9-11(4)6-7-12(13)10(2)3/h1,10-13H,6-9H2,2-4H3/t11-,12+,13-/m0/s1
InChIKey KLMCWQPVBAKKBO-XQQFMLRXSA-N
Mol Weight 194.32 g/mol
Molecular Formula C13H22O
Exact Mass 194.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3JOFXHUb8Ts
Name (1R,2S,4S)-1-isopropyl-4-methyl-2-prop-2-ynoxy-cyclohexane
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O
InChI InChI=1S/C13H22O/c1-5-8-14-13-9-11(4)6-7-12(13)10(2)3/h1,10-13H,6-9H2,2-4H3/t11-,12+,13-/m0/s1
InChIKey KLMCWQPVBAKKBO-XQQFMLRXSA-N
Molecular Weight 194.318 g/mol
SMILES [C@@]1([C@](CC[C@@](C1)(C)[H])(C(C)C)[H])(OCC#C)[H]
SPLASH splash10-0006-9300000000-f4e27ed2ae289b1bfa2e
Source of Spectrum SO-0-797-2
Synonyms (1R,2S,4S)-1-isopropyl-4-methyl-2-propargyloxy-cyclohexane (1R,2S,4S)-4-methyl-1-propan-2-yl-2-prop-2-ynoxy-cyclohexane
Wiley ID 1545033