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1,4-Diethyl-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyran-3-one
SpectraBase Compound ID KGX1eJUU2Kp
InChI InChI=1S/C14H20O2/c1-3-10-11-8-6-5-7-9-12(11)13(4-2)16-14(10)15/h3-9H2,1-2H3
InChIKey JLDUQMMTLDHWBS-UHFFFAOYSA-N
Mol Weight 220.31 g/mol
Molecular Formula C14H20O2
Exact Mass 220.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ISFD2wDCUtD
Name 1,4-Diethyl-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyran-3-one
CAS Registry Number 111395-96-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O2
InChI InChI=1S/C14H20O2/c1-3-10-11-8-6-5-7-9-12(11)13(4-2)16-14(10)15/h3-9H2,1-2H3
InChIKey JLDUQMMTLDHWBS-UHFFFAOYSA-N
Molecular Weight 220.312 g/mol
SMILES C12=C(C(=O)OC(=C2CCCCC1)CC)CC
SPLASH splash10-004i-0920000000-37569bdedb8411468a2d
Source of Spectrum J-53-3144-2
Synonyms 1,4-Diethyl-6,7,8,9-tetrahydrocyclohepta[c]pyran-3(5H)-one
Wiley ID 1220230