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3-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]-4-[[(1R)-1-phenylethyl]amino]cyclobut-3-ene-1,2-dione
SpectraBase Compound ID FpkEn5fKqJy
InChI InChI=1S/C17H20N2O3/c1-11(12-6-3-2-4-7-12)18-14-15(17(22)16(14)21)19-9-5-8-13(19)10-20/h2-4,6-7,11,13,18,20H,5,8-10H2,1H3/t11-,13+/m1/s1
InChIKey JVBCIWVSLRFNMO-YPMHNXCESA-N
Mol Weight 300.36 g/mol
Molecular Formula C17H20N2O3
Exact Mass 300.147393 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 857Ln2hKYnT
Name 3-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]-4-[[(1R)-1-phenylethyl]amino]cyclobut-3-ene-1,2-dione
CAS Registry Number 131589-10-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20N2O3
InChI InChI=1S/C17H20N2O3/c1-11(12-6-3-2-4-7-12)18-14-15(17(22)16(14)21)19-9-5-8-13(19)10-20/h2-4,6-7,11,13,18,20H,5,8-10H2,1H3/t11-,13+/m1/s1
InChIKey JVBCIWVSLRFNMO-YPMHNXCESA-N
Molecular Weight 300.358 g/mol
SMILES N(C1=C(N2[C@](CO)(CCC2)[H])C(C1=O)=O)[C@@](c1ccccc1)(C)[H]
SPLASH splash10-0a4i-0900000000-60f84022d009317e45b3
Source of Spectrum K-124-1220-5
Synonyms 3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-[[(1R)-1-phenylethyl]amino]cyclobut-3-ene-1,2-dione 3-[(2S)-2-methylolpyrrolidino]-4-[[(1R)-1-phenylethyl]amino]cyclobut-3-ene-1,2-quinone
Wiley ID 1302943