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HALFORDIN;3,4,5-TRIMETHOXYPSORALEN
SpectraBase Compound ID 4Ryubuz834t
InChI InChI=1S/C14H12O6/c1-16-11-7-4-5-19-8(7)6-9-10(11)12(17-2)13(18-3)14(15)20-9/h4-6H,1-3H3
InChIKey SHOQQSABOUVQLJ-UHFFFAOYSA-N
Mol Weight 276.24 g/mol
Molecular Formula C14H12O6
Exact Mass 276.063388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LHoSqAuDsop
Name Halfordin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12O6
InChI InChI=1S/C14H12O6/c1-16-11-7-4-5-19-8(7)6-9-10(11)12(17-2)13(18-3)14(15)20-9/h4-6H,1-3H3
InChIKey SHOQQSABOUVQLJ-UHFFFAOYSA-N
Molecular Weight 276.244 g/mol
SMILES COC=1C(=O)Oc2c(C1OC)c(OC)c1ccoc1c2
SPLASH splash10-004i-0190000000-afab0c8e88aebeb5cd49
Source of Spectrum SRH-2022-3113-0
Wiley ID 1825445