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2-[({3-[2-carboxyethenyl]-2-furyl}methyl)sulfanyl]benzoic acid
SpectraBase Compound ID 2I62NOI6spi
InChI InChI=1S/C15H12O5S/c16-14(17)6-5-10-7-8-20-12(10)9-21-13-4-2-1-3-11(13)15(18)19/h1-8H,9H2,(H,16,17)(H,18,19)/b6-5+
InChIKey YDKYQFYVLSXKBD-AATRIKPKSA-N
Mol Weight 304.32 g/mol
Molecular Formula C15H12O5S
Exact Mass 304.040545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B11YTPDEc3k
Name 2-[({3-[2-carboxyethenyl]-2-furyl}methyl)sulfanyl]benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H12O5S
InChI InChI=1S/C15H12O5S/c16-14(17)6-5-10-7-8-20-12(10)9-21-13-4-2-1-3-11(13)15(18)19/h1-8H,9H2,(H,16,17)(H,18,19)/b6-5+
InChIKey YDKYQFYVLSXKBD-AATRIKPKSA-N
Molecular Weight 304.316 g/mol
SMILES OC(c1c(SCc2c(\C=C\C(=O)O)cco2)cccc1)=O
SPLASH splash10-0zi9-9500000000-6e4f3ae6e79c8a52413f
Synonyms 2-[({3-[(E)-2-carboxyethenyl]-2-furyl}methyl)sulfanyl]benzoic acid 2-[3-(2-carboxy-vinyl)-furan-2-ylmethylsulfanyl]-benzoic acid
Wiley ID 1451209