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6,7,8,9,10,11-hexahydro-6-methyl-1,5-hexanocycloocta[d]oxepine
SpectraBase Compound ID KWYZLgaoeTw
InChI InChI=1S/C19H28O/c1-15-9-5-4-8-12-18-16-10-6-2-3-7-11-17(19(15)18)14-20-13-16/h13-15H,2-12H2,1H3
InChIKey YZUGEHVUSAXNPB-UHFFFAOYSA-N
Mol Weight 272.43 g/mol
Molecular Formula C19H28O
Exact Mass 272.214016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 52pnu7fiHAk
Name 6,7,8,9,10,11-hexahydro-6-methyl-1,5-hexanocycloocta[d]oxepine
Alternate Name(s) 3-methyl-18-oxatricyclo[8.6.3.0(2,9)]nonadeca-1(17),2(9),10(19)-triene
CAS Registry Number 130760-38-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H28O
InChI InChI=1S/C19H28O/c1-15-9-5-4-8-12-18-16-10-6-2-3-7-11-17(19(15)18)14-20-13-16/h13-15H,2-12H2,1H3
InChIKey YZUGEHVUSAXNPB-UHFFFAOYSA-N
Molecular Weight 272.432 g/mol
SMILES C12=C(C3=COC=C2CCCCCC3)CCCCCC1C
SPLASH splash10-0ab9-9070000000-eba4e58e4a10d09363fa
Source of Spectrum K-124-927-3
Wiley ID 1276730