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6-(6-Acetyl-benzo[1,3]dioxol-5-ylcarbamoyl)-cyclohex-3-enecarboxylic acid
SpectraBase Compound ID IhWt7GrhTk
InChI InChI=1S/C17H17NO6/c1-9(19)12-6-14-15(24-8-23-14)7-13(12)18-16(20)10-4-2-3-5-11(10)17(21)22/h2-3,6-7,10-11H,4-5,8H2,1H3,(H,18,20)(H,21,22)
InChIKey DXCJOVYKWBFLDA-UHFFFAOYSA-N
Mol Weight 331.32 g/mol
Molecular Formula C17H17NO6
Exact Mass 331.105587 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1QrfmolNUlk
Name 6-(6-Acetyl-benzo[1,3]dioxol-5-ylcarbamoyl)-cyclohex-3-enecarboxylic acid
Alternate Name(s) 6-([(6-Acetyl-1,3-benzodioxol-5-yl)amino]carbonyl)-3-cyclohexene-1-carboxylic acid 6-[(6-acetyl-1,3-benzodioxol-5-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid 6-[(6-ethanoyl-1,3-benzodioxol-5-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid 6-[[(6-acetyl-1,3-benzodioxol-5-yl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid
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Formula C17H17NO6
InChI InChI=1S/C17H17NO6/c1-9(19)12-6-14-15(24-8-23-14)7-13(12)18-16(20)10-4-2-3-5-11(10)17(21)22/h2-3,6-7,10-11H,4-5,8H2,1H3,(H,18,20)(H,21,22)
InChIKey DXCJOVYKWBFLDA-UHFFFAOYSA-N
Molecular Weight 331.324 g/mol
SMILES N(C(C1C(C(O)=O)CC=CC1)=O)c1c(cc2c(c1)OCO2)C(C)=O
SPLASH splash10-004i-6900000000-3c5890ebcf50c9c63e74
Wiley ID 1462640