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(3S,6R)-Diethyl-3-((S)-2-(methoxycarbonyl)-5-oxopyrrolidin-1-yl)-6-methylcyclohexa-1,4-diene-1,2-dicarboxylate
SpectraBase Compound ID yYYqO95VoS
InChI InChI=1S/C19H25NO7/c1-5-26-18(23)15-11(3)7-8-12(16(15)19(24)27-6-2)20-13(17(22)25-4)9-10-14(20)21/h7-8,11-13H,5-6,9-10H2,1-4H3/t11-,12+,13+/m1/s1
InChIKey ULSLISBJVMVKQH-AGIUHOORSA-N
Mol Weight 379.41 g/mol
Molecular Formula C19H25NO7
Exact Mass 379.163102 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8PqvgetGuuA
Name (3S,6R)-Diethyl-3-((S)-2-(methoxycarbonyl)-5-oxopyrrolidin-1-yl)-6-methylcyclohexa-1,4-diene-1,2-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H25NO7
InChI InChI=1S/C19H25NO7/c1-5-26-18(23)15-11(3)7-8-12(16(15)19(24)27-6-2)20-13(17(22)25-4)9-10-14(20)21/h7-8,11-13H,5-6,9-10H2,1-4H3/t11-,12+,13+/m1/s1
InChIKey ULSLISBJVMVKQH-AGIUHOORSA-N
Literature Reference DOI 10.1002/asia.200700031
Molecular Weight 379.409 g/mol
SMILES C1=C[C@](C(C(=O)OCC)=C(C(OCC)=O)[C@]1(N1C(CC[C@]1(C(OC)=O)[H])=O)[H])(C)[H]
SPLASH splash10-02u3-3926000000-5d7813a47153447958e7
Source of Spectrum CAJ-2-745-16b
Synonyms (3S,6R)-diethyl 3-((S)-2-(methoxycarbonyl)-5-oxopyrrolidin-1-yl)-6-methylcyclohexa-1,4-diene-1,2-dicarboxylate
Wiley ID 1774971