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(R)-4-allyl-4-(3,4-dimethoxyphenethyl)-2-((S)-2-(methoxymethyl)pyrrolidine-1-carbonyl)cyclohex-2-enone
SpectraBase Compound ID HkqEQypxqls
InChI InChI=1S/C26H35NO5/c1-5-12-26(13-10-19-8-9-23(31-3)24(16-19)32-4)14-11-22(28)21(17-26)25(29)27-15-6-7-20(27)18-30-2/h5,8-9,16-17,20H,1,6-7,10-15,18H2,2-4H3/t20-,26+/m0/s1
InChIKey SVXKLWXWVQZVSP-RXFWQSSRSA-N
Mol Weight 441.6 g/mol
Molecular Formula C26H35NO5
Exact Mass 441.251523 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7fCGKqG4MlK
Name (R)-4-allyl-4-(3,4-dimethoxyphenethyl)-2-((S)-2-(methoxymethyl)pyrrolidine-1-carbonyl)cyclohex-2-enone
Alternate Name(s) (R)-4-allyl-4-(3,4-dimethoxyphenethyl)-2-((S)-2-(methoxymethyl)pyrrolidine-1-carbonyl)cyclohex-2-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H35NO5
InChI InChI=1S/C26H35NO5/c1-5-12-26(13-10-19-8-9-23(31-3)24(16-19)32-4)14-11-22(28)21(17-26)25(29)27-15-6-7-20(27)18-30-2/h5,8-9,16-17,20H,1,6-7,10-15,18H2,2-4H3/t20-,26+/m0/s1
InChIKey SVXKLWXWVQZVSP-RXFWQSSRSA-N
Molecular Weight 441.568 g/mol
SMILES c1c(c(ccc1CC[C@]1(CC=C)CCC(=O)C(C(N2CCC[C@]2(COC)[H])=O)=C1)OC)OC
SPLASH splash10-0udi-0913000000-8c87a846678816e253f3
Source of Spectrum F5-13-2738-major_10d
Wiley ID 1802129