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1,3-Benzenediol, 2-heptyl-5-methyl-
SpectraBase Compound ID E1ur1m9CQjf
InChI InChI=1S/C14H22O2/c1-3-4-5-6-7-8-12-13(15)9-11(2)10-14(12)16/h9-10,15-16H,3-8H2,1-2H3
InChIKey PTDARRBNMURGDC-UHFFFAOYSA-N
Mol Weight 222.33 g/mol
Molecular Formula C14H22O2
Exact Mass 222.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ZOovjUIzRF
Name 1,3-Benzenediol, 2-heptyl-5-methyl-
Alternate Name(s) 2-heptyl-5-methyl-1,3-benzenediol 2-Heptyl-5-methylresorcin
CAS Registry Number 70680-16-9
Comments Removed - expert review - bad spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O2
InChI InChI=1S/C14H22O2/c1-3-4-5-6-7-8-12-13(15)9-11(2)10-14(12)16/h9-10,15-16H,3-8H2,1-2H3
InChIKey PTDARRBNMURGDC-UHFFFAOYSA-N
Molecular Weight 222.328 g/mol
SMILES Oc1c(c(cc(c1)C)O)CCCCCCC
SPLASH splash10-000i-0940000000-182c234fae9f36c4240b
Source of Spectrum K-112-1846-0
Wiley ID 1222803