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1-[(2',6',6'-Dimethyl-1'-cyclohexen-1'-yl)methyl]-4-hydroxy-4-methyl-2-pentynyl Pivalate

View entire compound with spectra: 1 MS (GC)

1-[(2',6',6'-Dimethyl-1'-cyclohexen-1'-yl)methyl]-4-hydroxy-4-methyl-2-pentynyl Pivalate
SpectraBase Compound ID JY7eXGxQgDl
InChI InChI=1S/C21H34O3/c1-15-10-9-12-20(5,6)17(15)14-16(11-13-21(7,8)23)24-18(22)19(2,3)4/h16,23H,9-10,12,14H2,1-8H3/t16-/m1/s1
InChIKey WEDDXUAVLGFLEF-MRXNPFEDSA-N
Mol Weight 334.5 g/mol
Molecular Formula C21H34O3
Exact Mass 334.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I323NI6ZNg9
Name 1-[(2',6',6'-Dimethyl-1'-cyclohexen-1'-yl)methyl]-4-hydroxy-4-methyl-2-pentynyl Pivalate
Alternate Name(s) 2,2-Dimethyl-propionic acid (S)-4-hydroxy-4-methyl-1-(2,6,6-trimethyl-cyclohex-1-enylmethyl)-pent-2-ynyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34O3
InChI InChI=1S/C21H34O3/c1-15-10-9-12-20(5,6)17(15)14-16(11-13-21(7,8)23)24-18(22)19(2,3)4/h16,23H,9-10,12,14H2,1-8H3/t16-/m1/s1
InChIKey WEDDXUAVLGFLEF-MRXNPFEDSA-N
Molecular Weight 334.500 g/mol
SMILES OC(C#C[C@@](OC(C(C)(C)C)=O)(CC1=C(CCCC1(C)C)C)[H])(C)C
SPLASH splash10-0a4r-9420000000-c4bf9a20f93a829549cf
Source of Spectrum QE-15-9781-26
Wiley ID 1692993