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6-Chloro-7-hydroxy-4-methyl-3-propyl-2H-chromen-2-one
SpectraBase Compound ID E2jvNJQbFIr
InChI InChI=1S/C13H13ClO3/c1-3-4-8-7(2)9-5-10(14)11(15)6-12(9)17-13(8)16/h5-6,15H,3-4H2,1-2H3
InChIKey RRQOTTOQAVSLLB-UHFFFAOYSA-N
Mol Weight 252.7 g/mol
Molecular Formula C13H13ClO3
Exact Mass 252.055322 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4hYTA4v6l2x
Name 6-Chloro-7-hydroxy-4-methyl-3-propyl-2H-chromen-2-one
Alternate Name(s) 6-Chloranyl-4-methyl-7-oxidanyl-3-propyl-chromen-2-one 6-Chloro-7-hydroxy-4-methyl-3-propyl-1-benzopyran-2-one 6-Chloro-7-hydroxy-4-methyl-3-propyl-chromen-2-one 6-Chloro-7-hydroxy-4-methyl-3-propyl-coumarin
CAS Registry Number 283170-66-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13ClO3
InChI InChI=1S/C13H13ClO3/c1-3-4-8-7(2)9-5-10(14)11(15)6-12(9)17-13(8)16/h5-6,15H,3-4H2,1-2H3
InChIKey RRQOTTOQAVSLLB-UHFFFAOYSA-N
Molecular Weight 252.697 g/mol
SMILES Oc1c(cc2C(=C(C(Oc2c1)=O)CCC)C)Cl
SPLASH splash10-00di-5590000000-f2410e8f8b1c1fcec3a8
Source of Spectrum AD-0-2532-0
Wiley ID 1433420