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5-O-(3-Chloro-2-hydroxy-3-methylbutyl)-8-methoxypsoralen
SpectraBase Compound ID EpRxZukBBtv
InChI InChI=1S/C17H17ClO6/c1-17(2,18)11(19)8-23-13-9-4-5-12(20)24-15(9)16(21-3)14-10(13)6-7-22-14/h4-7,11,19H,8H2,1-3H3
InChIKey FLTPZMNZFNPZAZ-UHFFFAOYSA-N
Mol Weight 352.77 g/mol
Molecular Formula C17H17ClO6
Exact Mass 352.071366 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CvPAFFwm27a
Name 5-O-(3-Chloro-2-hydroxy-3-methylbutyl)-8-methoxypsoralen
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17ClO6
InChI InChI=1S/C17H17ClO6/c1-17(2,18)11(19)8-23-13-9-4-5-12(20)24-15(9)16(21-3)14-10(13)6-7-22-14/h4-7,11,19H,8H2,1-3H3
InChIKey FLTPZMNZFNPZAZ-UHFFFAOYSA-N
Molecular Weight 352.770 g/mol
SMILES OC(C(Cl)(C)C)COc1c2c(c(c3c1cco3)OC)OC(C=C2)=O
SPLASH splash10-0uyi-4397000000-0b5aa971cd2f8b87db5a
Source of Spectrum E2-50-117-1
Synonyms 4-(3-Chloro-2-hydroxy-3-methylbutoxy)-9-methoxy-7-furo[3,2-g][1]benzopyranone 4-(3-Chloro-2-hydroxy-3-methylbutoxy)-9-methoxyfuro[3,2-g]chromen-7-one 4-(3-Chloranyl-3-methyl-2-oxidanyl-butoxy)-9-methoxy-furo[3,2-g]chromen-7-one
Wiley ID 1555809