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3-Chloranyl-2-methyl-5-(3-methylbut-2-enyl)-4,6-bis(oxidanyl)benzaldehyde
SpectraBase Compound ID 80MYvoBx5CR
InChI InChI=1S/C13H15ClO3/c1-7(2)4-5-9-12(16)10(6-15)8(3)11(14)13(9)17/h4,6,16-17H,5H2,1-3H3
InChIKey JQJZJLLBOLNQAF-UHFFFAOYSA-N
Mol Weight 254.71 g/mol
Molecular Formula C13H15ClO3
Exact Mass 254.070972 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DymOLXZz6ZE
Name 3-chloranyl-2-methyl-5-(3-methylbut-2-enyl)-4,6-bis(oxidanyl)benzaldehyde
CAS Registry Number 53939-17-6
Comments Less than 3 mono-isotopic peaks
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Formula C13H15ClO3
InChI InChI=1S/C13H15ClO3/c1-7(2)4-5-9-12(16)10(6-15)8(3)11(14)13(9)17/h4,6,16-17H,5H2,1-3H3
InChIKey JQJZJLLBOLNQAF-UHFFFAOYSA-N
Molecular Weight 254.713 g/mol
SMILES Oc1c(c(c(c(c1CC=C(C)C)O)C=O)C)Cl
SPLASH splash10-0002-0940000000-13f14b3d6756c0f14c56
Source of Spectrum AJ-67-1183-7
Synonyms 5-chloro-2,4-dihydroxy-6-methyl-3-(3-methylbut-2-enyl)benzaldehyde
Wiley ID 772681