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2-Pentyl-5-methoxy-7-(hydroxymethyl)-2,3-dihydrobenzopyran-8-carboxylic Acid
SpectraBase Compound ID FEzfUImc6fC
InChI InChI=1S/C17H24O5/c1-3-4-5-6-12-7-8-13-14(21-2)9-11(10-18)15(17(19)20)16(13)22-12/h9,12,18H,3-8,10H2,1-2H3,(H,19,20)
InChIKey HFBRCQUOADBUGT-UHFFFAOYSA-N
Mol Weight 308.37 g/mol
Molecular Formula C17H24O5
Exact Mass 308.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cb80g702FDZ
Name 2-Pentyl-5-methoxy-7-(hydroxymethyl)-2,3-dihydrobenzopyran-8-carboxylic Acid
Alternate Name(s) 7-(hydroxymethyl)-5-methoxy-2-pentyl-8-chromanecarboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24O5
InChI InChI=1S/C17H24O5/c1-3-4-5-6-12-7-8-13-14(21-2)9-11(10-18)15(17(19)20)16(13)22-12/h9,12,18H,3-8,10H2,1-2H3,(H,19,20)
InChIKey HFBRCQUOADBUGT-UHFFFAOYSA-N
Molecular Weight 308.374 g/mol
SMILES OCc1cc(c2c(c1C(=O)O)OC(CC2)CCCCC)OC
SPLASH splash10-08fr-0495000000-b5a36d89a66fc64242c4
Source of Spectrum X2-48-922-11
Wiley ID 1601744