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4'-Chloromethyl-4,8-dimethyl-4',5'-dihydropsoralen
SpectraBase Compound ID 3d7IBAwlmjx
InChI InChI=1S/C14H13ClO3/c1-7-3-12(16)18-14-8(2)13-11(4-10(7)14)9(5-15)6-17-13/h3-4,9H,5-6H2,1-2H3
InChIKey QHVUNJAAJMWRKS-UHFFFAOYSA-N
Mol Weight 264.71 g/mol
Molecular Formula C14H13ClO3
Exact Mass 264.055322 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KsuGyQoP0Lk
Name 4'-Chloromethyl-4,8-dimethyl-4',5'-dihydropsoralen
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13ClO3
InChI InChI=1S/C14H13ClO3/c1-7-3-12(16)18-14-8(2)13-11(4-10(7)14)9(5-15)6-17-13/h3-4,9H,5-6H2,1-2H3
InChIKey QHVUNJAAJMWRKS-UHFFFAOYSA-N
Molecular Weight 264.708 g/mol
SMILES c12c(C(C)=CC(O2)=O)cc2c(c1C)OCC2CCl
SPLASH splash10-014i-0290000000-214f5dd3b1c109f16304
Source of Spectrum O1-55-1089-9
Synonyms 3-(chloromethyl)-5,9-dimethyl-2,3-dihydro-7H-furo[3,2-g]chromen-7-one
Wiley ID 1591212