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3,5-Dimethyl-8-phenyloct-7-en-1-yne-4,6-diol

View entire compound with spectra: 1 MS (GC)

3,5-Dimethyl-8-phenyloct-7-en-1-yne-4,6-diol
SpectraBase Compound ID 9bIHuYGyStr
InChI InChI=1S/C16H20O2/c1-4-12(2)16(18)13(3)15(17)11-10-14-8-6-5-7-9-14/h1,5-13,15-18H,2-3H3/b11-10+
InChIKey YGWJMTRZNGKUAU-ZHACJKMWSA-N
Mol Weight 244.33 g/mol
Molecular Formula C16H20O2
Exact Mass 244.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LEICJyuCOFa
Name 3,5-Dimethyl-8-phenyloct-7-en-1-yne-4,6-diol
Alternate Name(s) (1E)-4,6-dimethyl-1-phenyl-1-octen-7-yne-3,5-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O2
InChI InChI=1S/C16H20O2/c1-4-12(2)16(18)13(3)15(17)11-10-14-8-6-5-7-9-14/h1,5-13,15-18H,2-3H3/b11-10+
InChIKey YGWJMTRZNGKUAU-ZHACJKMWSA-N
Molecular Weight 244.334 g/mol
SMILES OC(C(C(C(C#C)C)O)C)\C=C\c1ccccc1
SPLASH splash10-001i-3900000000-021cae154168cbd0adb1
Source of Spectrum Y2-70-1705-19
Wiley ID 1587486