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1,3-Benzenedimethanol, 2-butyl-
SpectraBase Compound ID GcJZKFsYNa3
InChI InChI=1S/C12H18O2/c1-2-3-7-12-10(8-13)5-4-6-11(12)9-14/h4-6,13-14H,2-3,7-9H2,1H3
InChIKey WONMSODTCIPFFF-UHFFFAOYSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6khj7ONcSup
Name 1,3-Benzenedimethanol, 2-butyl-
Alternate Name(s) 2,6-bis(hydroxymethyl)-n-butylbenzene [2-butyl-3-(hydroxymethyl)phenyl]methanol
CAS Registry Number 64682-44-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O2
InChI InChI=1S/C12H18O2/c1-2-3-7-12-10(8-13)5-4-6-11(12)9-14/h4-6,13-14H,2-3,7-9H2,1H3
InChIKey WONMSODTCIPFFF-UHFFFAOYSA-N
Molecular Weight 194.274 g/mol
SMILES OCc1c(c(CO)ccc1)CCCC
SPLASH splash10-056u-0900000000-96f2378c8dfebc4064d9
Source of Spectrum J-43-730-0
Wiley ID 1190924