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Methyl 4-Benzyloxy-4-methyl-2-(prop-2-yn-1-yl)]cyclohexanecarboxylate
SpectraBase Compound ID H3ps8EhvIux
InChI InChI=1S/C19H24O3/c1-4-8-16-13-19(2,12-11-17(16)18(20)21-3)22-14-15-9-6-5-7-10-15/h1,5-7,9-10,16-17H,8,11-14H2,2-3H3/t16-,17-,19+/m1/s1
InChIKey CGVRPPIZVJSXNX-LMMKCTJWSA-N
Mol Weight 300.4 g/mol
Molecular Formula C19H24O3
Exact Mass 300.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1sJznuQxT11
Name Methyl 4-Benzyloxy-4-methyl-2-(prop-2-yn-1-yl)]cyclohexanecarboxylate
Alternate Name(s) (1R,2R,4S)-4-methyl-4-phenylmethoxy-2-prop-2-ynyl-1-cyclohexanecarboxylic acid methyl ester Methyl (1R,2R,4S)-4-methyl-4-phenylmethoxy-2-prop-2-ynylcyclohexane-1-carboxylate Methyl (1R,2R,4S)-4-benzyloxy-4-methyl-2-prop-2-ynyl-cyclohexanecarboxylate Methyl (1R,2R,4S)-4-methyl-4-phenylmethoxy-2-prop-2-ynyl-cyclohexane-1-carboxylate
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Formula C19H24O3
InChI InChI=1S/C19H24O3/c1-4-8-16-13-19(2,12-11-17(16)18(20)21-3)22-14-15-9-6-5-7-10-15/h1,5-7,9-10,16-17H,8,11-14H2,2-3H3/t16-,17-,19+/m1/s1
InChIKey CGVRPPIZVJSXNX-LMMKCTJWSA-N
Molecular Weight 300.398 g/mol
SMILES [C@@]1(C(=O)OC)([C@@](C[C@](CC1)(OCc1ccccc1)C)(CC#C)[H])[H]
SPLASH splash10-0udl-2900000000-c278c3ef8e3e6733c3ab
Source of Spectrum SO-0-420-18
Wiley ID 876290