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1-[(2',6',6'-Dimethyl-1'-cyclohexen-1'-yl)methyl]-2-propynyl Pivalate

View entire compound with spectra: 1 MS (GC)

1-[(2',6',6'-Dimethyl-1'-cyclohexen-1'-yl)methyl]-2-propynyl Pivalate
SpectraBase Compound ID IlCGbDbI5rx
InChI InChI=1S/C18H28O2/c1-8-14(20-16(19)17(3,4)5)12-15-13(2)10-9-11-18(15,6)7/h1,14H,9-12H2,2-7H3/t14-/m1/s1
InChIKey NLSHXIAGPSTZDP-CQSZACIVSA-N
Mol Weight 276.42 g/mol
Molecular Formula C18H28O2
Exact Mass 276.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7INjSJpiAlK
Name 1-[(2',6',6'-Dimethyl-1'-cyclohexen-1'-yl)methyl]-2-propynyl Pivalate
Alternate Name(s) 2,2-Dimethyl-propionic acid (S)-1-(2,6,6-trimethyl-cyclohex-1-enylmethyl)-prop-2-ynyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H28O2
InChI InChI=1S/C18H28O2/c1-8-14(20-16(19)17(3,4)5)12-15-13(2)10-9-11-18(15,6)7/h1,14H,9-12H2,2-7H3/t14-/m1/s1
InChIKey NLSHXIAGPSTZDP-CQSZACIVSA-N
Molecular Weight 276.420 g/mol
SMILES C1(=C(CCCC1(C)C)C)C[C@@](C#C)(OC(C(C)(C)C)=O)[H]
SPLASH splash10-0a4i-7900000000-6ed88283c3991333eedc
Source of Spectrum QE-15-9781-27
Wiley ID 1692992