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3-Cycloheptene-1-carboxaldehyde, 6-(hydroxymethylene)-4-methyl-7-(1-methylethylidene)-5-oxo-, (Z)-
SpectraBase Compound ID KnAIis8qQC2
InChI InChI=1S/C13H16O3/c1-8(2)12-10(6-14)5-4-9(3)13(16)11(12)7-15/h4,6-7,10,15H,5H2,1-3H3/b11-7-
InChIKey JYGWKOIASYXHID-XFFZJAGNSA-N
Mol Weight 220.27 g/mol
Molecular Formula C13H16O3
Exact Mass 220.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5VAA4vobFYk
Name 3-Cycloheptene-1-carboxaldehyde, 6-(hydroxymethylene)-4-methyl-7-(1-methylethylidene)-5-oxo-, (Z)-
CAS Registry Number 94239-81-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O3
InChI InChI=1S/C13H16O3/c1-8(2)12-10(6-14)5-4-9(3)13(16)11(12)7-15/h4,6-7,10,15H,5H2,1-3H3/b11-7-
InChIKey JYGWKOIASYXHID-XFFZJAGNSA-N
Molecular Weight 220.268 g/mol
SMILES O\C=C\1C(=C(C)C)C(CC=C(C1=O)C)C=O
SPLASH splash10-0596-3940000000-38fda72c96873cd63495
Source of Spectrum H-67-1512-0
Synonyms (6Z)-6-(hydroxymethylene)-4-methyl-7-(1-methylethylidene)-5-oxo-3-cycloheptene-1-carbaldehyde 6-Hydroxymethylidene-7-isopropylidene-4-methyl-5-oxo-3-cycloheptenecarbaldehyde
Wiley ID 1219866