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Auraptenol
SpectraBase Compound ID IPgHcjOuDZb
InChI InChI=1S/C15H16O4/c1-9(2)12(16)8-11-13(18-3)6-4-10-5-7-14(17)19-15(10)11/h4-7,12,16H,1,8H2,2-3H3
InChIKey SQSRYWNOKPJENY-UHFFFAOYSA-N
Mol Weight 260.29 g/mol
Molecular Formula C15H16O4
Exact Mass 260.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GZygSNN0HZQ
Name Auraptenol
Alternate Name(s) 7-Methoxy-8-(3-methyl-2-oxidanyl-but-3-enyl)chromen-2-one 8-(2-hydroxy-3-methyl-but-3-enyl)-7-methoxy-chromen-2-one 8-(2-hydroxy-3-methyl-but-3-enyl)-7-methoxy-coumarin 8-(2-hydroxy-3-methylbut-3-enyl)-7-methoxy-1-benzopyran-2-one
CAS Registry Number 108354-46-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16O4
InChI InChI=1S/C15H16O4/c1-9(2)12(16)8-11-13(18-3)6-4-10-5-7-14(17)19-15(10)11/h4-7,12,16H,1,8H2,2-3H3
InChIKey SQSRYWNOKPJENY-UHFFFAOYSA-N
Molecular Weight 260.289 g/mol
SMILES OC(Cc1c2OC(C=Cc2ccc1OC)=O)C(=C)C
SPLASH splash10-0006-0900000000-bc48876e54156c6ecc2f
Source of Spectrum W5-1989-35043-30493
Wiley ID 1263785