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3-furancarboxylic acid, 5-[[[(4,5,6,7-tetrahydro-2-methyl-3-benzofuranyl)carbonyl]amino]methyl]-
SpectraBase Compound ID 87s35m0sJs2
InChI InChI=1S/C16H17NO5/c1-9-14(12-4-2-3-5-13(12)22-9)15(18)17-7-11-6-10(8-21-11)16(19)20/h6,8H,2-5,7H2,1H3,(H,17,18)(H,19,20)
InChIKey YMDMQRMBZOXXQX-UHFFFAOYSA-N
Mol Weight 303.31 g/mol
Molecular Formula C16H17NO5
Exact Mass 303.110673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2aiLfcftSLw
Name 5-({[(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)carbonyl]amino}methyl)-3-furoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17NO5
InChI InChI=1S/C16H17NO5/c1-9-14(12-4-2-3-5-13(12)22-9)15(18)17-7-11-6-10(8-21-11)16(19)20/h6,8H,2-5,7H2,1H3,(H,17,18)(H,19,20)
InChIKey YMDMQRMBZOXXQX-UHFFFAOYSA-N
Molecular Weight 303.314 g/mol
SMILES N(C(c1c(oc2c1CCCC2)C)=O)Cc1cc(C(=O)O)co1
SPLASH splash10-03di-6900000000-d8760277e2efe36d0447
Synonyms 5-[[(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid 5-[[(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)carbonylamino]methyl]furan-3-carboxylic acid 5-[[(2-methyl-4,5,6,7-tetrahydrobenzofuran-3-carbonyl)amino]methyl]-3-furoic acid 5-[[(2-methyl-4,5,6,7-tetrahydrobenzofuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid 5-[[[(2-methyl-4,5,6,7-tetrahydrobenzofuran-3-yl)-oxomethyl]amino]methyl]-3-furancarboxylic acid
Wiley ID 1453248