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3-Oxepanol, 6-(2-hydroxyethylidene)-2,2-dimethyl-, (E)-(.+-.)-

View entire compound with spectra: 1 MS (GC)

3-Oxepanol, 6-(2-hydroxyethylidene)-2,2-dimethyl-, (E)-(.+-.)-
SpectraBase Compound ID 4A57IcY8W4F
InChI InChI=1S/C10H18O3/c1-10(2)9(12)4-3-8(5-6-11)7-13-10/h5,9,11-12H,3-4,6-7H2,1-2H3/b8-5+
InChIKey BPSCKHLZBKJQTA-VMPITWQZSA-N
Mol Weight 186.25 g/mol
Molecular Formula C10H18O3
Exact Mass 186.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Es6SBLvo4yd
Name 3-Oxepanol, 6-(2-hydroxyethylidene)-2,2-dimethyl-, (E)-(.+-.)-
Alternate Name(s) (6E)-2,2-dimethyl-6-(2-hydroxyethyldene)oxepan-3-ol (6E)-6-(2-hydroxyethylidene)-2,2-dimethyl-3-oxepanol
CAS Registry Number 100582-47-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18O3
InChI InChI=1S/C10H18O3/c1-10(2)9(12)4-3-8(5-6-11)7-13-10/h5,9,11-12H,3-4,6-7H2,1-2H3/b8-5+
InChIKey BPSCKHLZBKJQTA-VMPITWQZSA-N
Molecular Weight 186.251 g/mol
SMILES OC\C=C\1COC(C(CC1)O)(C)C
SPLASH splash10-02ai-9200000000-ca21bb568c714eb7336d
Source of Spectrum KC-1985-1592-11
Wiley ID 1182844