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1-Benzyl 2-tert-butyl (2S)-4-(propan-2-yl)-2,3-dihydro-1H-pyrrole-1,2-dicarboxylate
SpectraBase Compound ID 9PUhHBjudKo
InChI InChI=1S/C20H27NO4/c1-14(2)16-11-17(18(22)25-20(3,4)5)21(12-16)19(23)24-13-15-9-7-6-8-10-15/h6-10,12,14,17H,11,13H2,1-5H3/t17-/m0/s1
InChIKey XZQAOQAAMBPTPI-KRWDZBQOSA-N
Mol Weight 345.44 g/mol
Molecular Formula C20H27NO4
Exact Mass 345.194008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3tdXu2IzWKL
Name 1-Benzyl 2-tert-butyl (2S)-4-(propan-2-yl)-2,3-dihydro-1H-pyrrole-1,2-dicarboxylate
Alternate Name(s) (S)-1-benzyl 2-tert-butyl 4-isopropyl-2,3-dihydro-1H-pyrrole-1,2-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H27NO4
InChI InChI=1S/C20H27NO4/c1-14(2)16-11-17(18(22)25-20(3,4)5)21(12-16)19(23)24-13-15-9-7-6-8-10-15/h6-10,12,14,17H,11,13H2,1-5H3/t17-/m0/s1
InChIKey XZQAOQAAMBPTPI-KRWDZBQOSA-N
Literature Reference DOI 10.1021/ol502239g
Molecular Weight 345.439 g/mol
SMILES c1(ccccc1)COC(N1C=C(C[C@]1(C(=O)OC(C)(C)C)[H])C(C)C)=O
SPLASH splash10-0f6x-9082000000-a612730193cb7d75571f
Source of Spectrum A1-16-4778/SMS6-4c
Wiley ID 1751222