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[ (trans)-3,4,5,10-Tetrahydro-6-hydroxy-1-methyl-5,10-dioxo-1H-naphtho[2,3-c]pyran-3-yl]acetic acid
SpectraBase Compound ID BnG94Rp8gRw
InChI InChI=1S/C16H14O6/c1-7-13-10(5-8(22-7)6-12(18)19)16(21)14-9(15(13)20)3-2-4-11(14)17/h2-4,7-8,17H,5-6H2,1H3,(H,18,19)/t7-,8+/m0/s1
InChIKey PLFBEGSEGZGJQT-JGVFFNPUSA-N
Mol Weight 302.28 g/mol
Molecular Formula C16H14O6
Exact Mass 302.079038 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C6iTXduJHLo
Name [ (trans)-3,4,5,10-Tetrahydro-6-hydroxy-1-methyl-5,10-dioxo-1H-naphtho[2,3-c]pyran-3-yl]acetic acid
Alternate Name(s) [(1S,3R)-6-hydroxy-1-methyl-5,10-dioxo-3,4,5,10-tetrahydro-1H-naphtho[2,3-c]pyran-3-yl]acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14O6
InChI InChI=1S/C16H14O6/c1-7-13-10(5-8(22-7)6-12(18)19)16(21)14-9(15(13)20)3-2-4-11(14)17/h2-4,7-8,17H,5-6H2,1H3,(H,18,19)/t7-,8+/m0/s1
InChIKey PLFBEGSEGZGJQT-JGVFFNPUSA-N
Molecular Weight 302.282 g/mol
SMILES Oc1cccc2c1C(C1=C([C@@](O[C@@](CC(=O)O)(C1)[H])(C)[H])C2=O)=O
SPLASH splash10-0udi-0059000000-433689dbeced90034f8c
Source of Spectrum U-1993-339-0
Wiley ID 764879