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4,5-dimethyl-3,6-hexanooxepine
SpectraBase Compound ID BQeM8R5U2oj
InChI InChI=1S/C14H20O/c1-11-12(2)14-8-6-4-3-5-7-13(11)9-15-10-14/h9-10H,3-8H2,1-2H3
InChIKey ZBULJNSOJSCTKZ-UHFFFAOYSA-N
Mol Weight 204.31 g/mol
Molecular Formula C14H20O
Exact Mass 204.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9jVESRymKeN
Name 4,5-dimethyl-3,6-hexanooxepine
CAS Registry Number 106710-74-1
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O
InChI InChI=1S/C14H20O/c1-11-12(2)14-8-6-4-3-5-7-13(11)9-15-10-14/h9-10H,3-8H2,1-2H3
InChIKey ZBULJNSOJSCTKZ-UHFFFAOYSA-N
Molecular Weight 204.313 g/mol
SMILES C1(=C(C2=COC=C1CCCCCC2)C)C
SPLASH splash10-0a4i-9010000000-be0d4ee00f72674d8a33
Source of Spectrum K-120-773-3
Synonyms 12,13-dimethyl-10-oxabicyclo[6.3.2]trideca-1(11),8,12-triene
Wiley ID 1202376