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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 BTFpawSC972
Name 3-Chloranyl-2-methyl-5-(3-methylbut-2-enyl)-4,6-bis(oxidanyl)benzaldehyde
CAS Registry Number 53939-17-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 splash10-0002-0890000000-870d2a4262cad1d6f9ea
Source of Spectrum J-51-4483-18
Synonyms 5-Chloro-2,4-dihydroxy-6-methyl-3-(3-methylbut-2-enyl)benzaldehyde
Wiley ID 1257466