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2H-Pyrrol-2-one, 1-acetyl-1,5-dihydro-3-(12-methyl-10,12-tetradecadienyl)-5-(phenylmethyl)-, [S-(E,E)]-
SpectraBase Compound ID FpJStLEb7CS
InChI InChI=1S/C28H39NO2/c1-4-23(2)17-13-10-8-6-5-7-9-11-16-20-26-22-27(29(24(3)30)28(26)31)21-25-18-14-12-15-19-25/h4,12-15,17-19,22,27H,5-11,16,20-21H2,1-3H3/b17-13+,23-4+/t27-/m0/s1
InChIKey YUDFWTWNYLUJPJ-QZIWEMMVSA-N
Mol Weight 421.6 g/mol
Molecular Formula C28H39NO2
Exact Mass 421.298079 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DnbFhi92L8U
Name 2H-Pyrrol-2-one, 1-acetyl-1,5-dihydro-3-(12-methyl-10,12-tetradecadienyl)-5-(phenylmethyl)-, [S-(E,E)]-
Alternate Name(s) (5S)-1-acetyl-5-benzyl-3-[(10E,12E)-12-methyl-10,12-tetradecadienyl]-1,5-dihydro-2H-pyrrol-2-one (5S,10'E,12'E)-1-acetyl-5-benzyl-3-(12'-methyltetradeca-10',12'-dienyl)pyrrol-2(5H)-one
CAS Registry Number 123250-84-0
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H39NO2
InChI InChI=1S/C28H39NO2/c1-4-23(2)17-13-10-8-6-5-7-9-11-16-20-26-22-27(29(24(3)30)28(26)31)21-25-18-14-12-15-19-25/h4,12-15,17-19,22,27H,5-11,16,20-21H2,1-3H3/b17-13+,23-4+/t27-/m0/s1
InChIKey YUDFWTWNYLUJPJ-QZIWEMMVSA-N
Molecular Weight 421.625 g/mol
SMILES C1(N([C@](C=C1CCCCCCCCC\C=C\C(=C\C)C)(Cc1ccccc1)[H])C(=O)C)=O
SPLASH splash10-0006-9000000000-45667427a1af0136e356
Source of Spectrum KC-1989-493-13
Wiley ID 1378384