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3-Butoxy-4-[(2'S)-2'-(diphenylhydroxymethyl)pyrrolidino]-3-cyclobutene-1,2-dione
SpectraBase Compound ID 2YeNgfKG8tS
InChI InChI=1S/C25H27NO4/c1-2-3-17-30-24-21(22(27)23(24)28)26-16-10-15-20(26)25(29,18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-9,11-14,20,29H,2-3,10,15-17H2,1H3/t20-/m0/s1
InChIKey NSOKODSAGZEJSW-FQEVSTJZSA-N
Mol Weight 405.49 g/mol
Molecular Formula C25H27NO4
Exact Mass 405.194008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H1uYSyeZdHP
Name 3-Butoxy-4-[(2'S)-2'-(diphenylhydroxymethyl)pyrrolidino]-3-cyclobutene-1,2-dione
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H27NO4
InChI InChI=1S/C25H27NO4/c1-2-3-17-30-24-21(22(27)23(24)28)26-16-10-15-20(26)25(29,18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-9,11-14,20,29H,2-3,10,15-17H2,1H3/t20-/m0/s1
InChIKey NSOKODSAGZEJSW-FQEVSTJZSA-N
Molecular Weight 405.494 g/mol
SMILES OC([C@]1(N(C2=C(OCCCC)C(C2=O)=O)CCC1)[H])(c1ccccc1)c1ccccc1
SPLASH splash10-014i-0900200000-4a8558f1e64458073b21
Source of Spectrum F-57-9330-2
Synonyms 3-butoxy-4-{(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidinyl}-3-cyclobutene-1,2-dione
Wiley ID 1626399