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(S)-2-(5-Oxo-cyclohepta-1,3,6-trienylcarbamoyl)-pyrrolidine-1-carboxylic acid tert-butyl ester
SpectraBase Compound ID I9pbDC0yRfU
InChI InChI=1S/C17H22N2O4/c1-17(2,3)23-16(22)19-11-5-8-14(19)15(21)18-12-6-4-7-13(20)10-9-12/h4,6-7,9-10,14H,5,8,11H2,1-3H3,(H,18,21)/t14-/m0/s1
InChIKey TWSLSHTWNBELES-AWEZNQCLSA-N
Mol Weight 318.37 g/mol
Molecular Formula C17H22N2O4
Exact Mass 318.157957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DhmaIuVnqFe
Name (S)-2-(5-Oxo-cyclohepta-1,3,6-trienylcarbamoyl)-pyrrolidine-1-carboxylic acid tert-butyl ester
Alternate Name(s) 4-[1'-(t-Butoxycarbonyl)pyrrolidine]-2'-carboxamide]-tropone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22N2O4
InChI InChI=1S/C17H22N2O4/c1-17(2,3)23-16(22)19-11-5-8-14(19)15(21)18-12-6-4-7-13(20)10-9-12/h4,6-7,9-10,14H,5,8,11H2,1-3H3,(H,18,21)/t14-/m0/s1
InChIKey TWSLSHTWNBELES-AWEZNQCLSA-N
Molecular Weight 318.373 g/mol
SMILES N(C([C@]1(N(C(OC(C)(C)C)=O)CCC1)[H])=O)C=1C=CC(=O)C=CC1
SPLASH splash10-0229-9400000000-05c3859c906b1896f3b8
Source of Spectrum QE-14-634-68
Wiley ID 1691850