For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(R)-4-allyl-2-((S)-2-(methoxymethyl)pyrrolidine-1-carbonyl)-4-(3-methylphenethyl)cyclohex-2-enone
SpectraBase Compound ID DGAml7qy5bE
InChI InChI=1S/C25H33NO3/c1-4-12-25(13-10-20-8-5-7-19(2)16-20)14-11-23(27)22(17-25)24(28)26-15-6-9-21(26)18-29-3/h4-5,7-8,16-17,21H,1,6,9-15,18H2,2-3H3/t21-,25+/m0/s1
InChIKey ISOAXYXKAGYTPB-SQJMNOBHSA-N
Mol Weight 395.5 g/mol
Molecular Formula C25H33NO3
Exact Mass 395.246044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 1HFFRatjkui
Name (R)-4-allyl-2-((S)-2-(methoxymethyl)pyrrolidine-1-carbonyl)-4-(3-methylphenethyl)cyclohex-2-enone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H33NO3
InChI InChI=1S/C25H33NO3/c1-4-12-25(13-10-20-8-5-7-19(2)16-20)14-11-23(27)22(17-25)24(28)26-15-6-9-21(26)18-29-3/h4-5,7-8,16-17,21H,1,6,9-15,18H2,2-3H3/t21-,25+/m0/s1
InChIKey ISOAXYXKAGYTPB-SQJMNOBHSA-N
Molecular Weight 395.543 g/mol
SMILES C([C@@]1(C=C(C(=O)CC1)C(N1[C@@](CCC1)(COC)[H])=O)CCc1cc(ccc1)C)C=C
SPLASH splash10-0pb9-0937000000-438270ac03550c187142
Source of Spectrum F5-13-2738-10e_Major
Wiley ID 1757664