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Carbamic acid, [4-(4-acetyl-2,5-dihydro-3-hydroxy-5-oxo-1H-pyrrol-2-yl)butyl]-, phenylmethyl ester, (S)-
SpectraBase Compound ID 3Rp5R9EQ2cw
InChI InChI=1S/C18H22N2O5/c1-12(21)15-16(22)14(20-17(15)23)9-5-6-10-19-18(24)25-11-13-7-3-2-4-8-13/h2-4,7-8,14,22H,5-6,9-11H2,1H3,(H,19,24)(H,20,23)/t14-/m0/s1
InChIKey YDVQDUIQDLXXPU-AWEZNQCLSA-N
Mol Weight 346.38 g/mol
Molecular Formula C18H22N2O5
Exact Mass 346.152872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8bqPvIO6s1O
Name Carbamic acid, [4-(4-acetyl-2,5-dihydro-3-hydroxy-5-oxo-1H-pyrrol-2-yl)butyl]-, phenylmethyl ester, (S)-
Alternate Name(s) 3-Acetyl-5-(4-(benzyloxycarbonylamino)butyl)-2-oxo-4-hydroxypyrrolidine benzyl 4-[(2S)-4-acetyl-3-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]butylcarbamate
CAS Registry Number 128892-55-7
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22N2O5
InChI InChI=1S/C18H22N2O5/c1-12(21)15-16(22)14(20-17(15)23)9-5-6-10-19-18(24)25-11-13-7-3-2-4-8-13/h2-4,7-8,14,22H,5-6,9-11H2,1H3,(H,19,24)(H,20,23)/t14-/m0/s1
InChIKey YDVQDUIQDLXXPU-AWEZNQCLSA-N
Molecular Weight 346.383 g/mol
SMILES N1[C@](C(=C(C1=O)C(=O)C)O)(CCCCNC(=O)OCc1ccccc1)[H]
SPLASH splash10-0002-0009000000-f288d164ea8a2e4d3011
Source of Spectrum KC-1990-613-3
Wiley ID 1339180