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4-[(6-Sec-butoxycarbonyl-cyclohex-3-enecarbonyl)-amino]-benzoic acid
SpectraBase Compound ID AeXCpRuZevZ
InChI InChI=1S/C19H23NO5/c1-3-12(2)25-19(24)16-7-5-4-6-15(16)17(21)20-14-10-8-13(9-11-14)18(22)23/h4-5,8-12,15-16H,3,6-7H2,1-2H3,(H,20,21)(H,22,23)
InChIKey IILHURVYVFCVLC-UHFFFAOYSA-N
Mol Weight 345.4 g/mol
Molecular Formula C19H23NO5
Exact Mass 345.157623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DVCXXoUuALQ
Name 4-[(6-Sec-butoxycarbonyl-cyclohex-3-enecarbonyl)-amino]-benzoic acid
Alternate Name(s) 4-(([6-(Sec-butoxycarbonyl)-3-cyclohexen-1-yl]carbonyl)amino)benzoic acid 4-[(6-butan-2-yloxycarbonylcyclohex-3-en-1-yl)carbonylamino]benzoic acid 4-[(6-butan-2-yloxycarbonylcyclohex-3-ene-1-carbonyl)amino]benzoic acid 4-[(6-sec-butoxycarbonylcyclohex-3-ene-1-carbonyl)amino]benzoic acid 4-[[[6-[butan-2-yloxy(oxo)methyl]-1-cyclohex-3-enyl]-oxomethyl]amino]benzoic acid
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Formula C19H23NO5
InChI InChI=1S/C19H23NO5/c1-3-12(2)25-19(24)16-7-5-4-6-15(16)17(21)20-14-10-8-13(9-11-14)18(22)23/h4-5,8-12,15-16H,3,6-7H2,1-2H3,(H,20,21)(H,22,23)
InChIKey IILHURVYVFCVLC-UHFFFAOYSA-N
Molecular Weight 345.395 g/mol
SMILES N(C(=O)C1C(CC=CC1)C(=O)OC(CC)C)c1ccc(C(O)=O)cc1
SPLASH splash10-0ufr-7910000000-6096f8ab8bb7a42e2ea1
Wiley ID 1457850