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8-[(2E)-4,4-dimethyl-2-phenacylidene-1-pyrrolidinyl]octanoic acid
SpectraBase Compound ID HdxtMMERPpw
InChI InChI=1S/C22H31NO3/c1-22(2)16-19(15-20(24)18-11-7-6-8-12-18)23(17-22)14-10-5-3-4-9-13-21(25)26/h6-8,11-12,15H,3-5,9-10,13-14,16-17H2,1-2H3,(H,25,26)/b19-15+
InChIKey OXLHYFPNLQXGAI-XDJHFCHBSA-N
Mol Weight 357.49 g/mol
Molecular Formula C22H31NO3
Exact Mass 357.230394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ea2Cktdpd8q
Name 8-[(2E)-4,4-dimethyl-2-phenacylidene-1-pyrrolidinyl]octanoic acid
Alternate Name(s) 8-[4,4-Dimethyl-2-(2-oxo-2-phenyl-ethylidene)-pyrrolidin-1-yl]-octanoic acid 8-[(2E)-4,4-dimethyl-2-phenacylidene-pyrrolidin-1-yl]octanoic acid 8-[(2E)-4,4-dimethyl-2-phenacylidene-pyrrolidino]caprylic acid (E)-8-(4,4-dimethyl-2-(2-oxo-2-phenylethylidene)pyrrolidin-1-yl)octanoic acid 8-[(2E)-4,4-dimethyl-2-phenacylidenepyrrolidin-1-yl]octanoic acid
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Formula C22H31NO3
InChI InChI=1S/C22H31NO3/c1-22(2)16-19(15-20(24)18-11-7-6-8-12-18)23(17-22)14-10-5-3-4-9-13-21(25)26/h6-8,11-12,15H,3-5,9-10,13-14,16-17H2,1-2H3,(H,25,26)/b19-15+
InChIKey OXLHYFPNLQXGAI-XDJHFCHBSA-N
Literature Reference DOI 10.1002/ardp.19973300307
Molecular Weight 357.494 g/mol
SMILES OC(CCCCCCCN1\C(CC(C1)(C)C)=C/C(c1ccccc1)=O)=O
SPLASH splash10-0pi0-0891000000-183948795a793f5e1db5
Source of Spectrum APP-330-80-4q
Wiley ID 1770175