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4-Hydroxy-4-trifluoromethyl-1,6-heptadiene
SpectraBase Compound ID 4h3hn5vMPc7
InChI InChI=1S/C8H11F3O/c1-3-5-7(12,6-4-2)8(9,10)11/h3-4,12H,1-2,5-6H2
InChIKey XDRMYQUAJBDWFZ-UHFFFAOYSA-N
Mol Weight 180.17 g/mol
Molecular Formula C8H11F3O
Exact Mass 180.076199 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4VJx64tLuK
Name 4-Hydroxy-4-trifluoromethyl-1,6-heptadiene
Alternate Name(s) 4-(trifluoromethyl)-1,6-heptadien-4-ol 4-(trifluoromethyl)-4-hepta-1,6-dienol 4-(trifluoromethyl)hepta-1,6-dien-4-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H11F3O
InChI InChI=1S/C8H11F3O/c1-3-5-7(12,6-4-2)8(9,10)11/h3-4,12H,1-2,5-6H2
InChIKey XDRMYQUAJBDWFZ-UHFFFAOYSA-N
Molecular Weight 180.170 g/mol
SMILES OC(C(F)(F)F)(CC=C)CC=C
SPLASH splash10-00kf-9000000000-730908fb8b9758e282ee
Source of Spectrum OV-5-532-3
Wiley ID 1547612