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

*Links on SpectraBase are not permalinks.
Benzyl 2-(5,5-dimethyl-1,3-dioxan-2-yl)-3-ethyl-4-methylpyrrole-5-carboxylate
SpectraBase Compound ID HvGr0uLk7rm
InChI InChI=1S/C21H27NO4/c1-5-16-14(2)17(19(23)24-11-15-9-7-6-8-10-15)22-18(16)20-25-12-21(3,4)13-26-20/h6-10,20,22H,5,11-13H2,1-4H3
InChIKey XMNKMGIVHPCCIF-UHFFFAOYSA-N
Mol Weight 357.45 g/mol
Molecular Formula C21H27NO4
Exact Mass 357.194008 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 6ZkI6jeM5l8
Name Benzyl 2-(5,5-dimethyl-1,3-dioxan-2-yl)-3-ethyl-4-methylpyrrole-5-carboxylate
Alternate Name(s) benzyl 5-(5,5-dimethyl-1,3-dioxan-2-yl)-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27NO4
InChI InChI=1S/C21H27NO4/c1-5-16-14(2)17(19(23)24-11-15-9-7-6-8-10-15)22-18(16)20-25-12-21(3,4)13-26-20/h6-10,20,22H,5,11-13H2,1-4H3
InChIKey XMNKMGIVHPCCIF-UHFFFAOYSA-N
Molecular Weight 357.450 g/mol
SMILES [nH]1c(c(c(c1C1OCC(CO1)(C)C)CC)C)C(=O)OCc1ccccc1
SPLASH splash10-006x-9344000000-dc603816e805d588a94f
Source of Spectrum SO-1976-465-2
Wiley ID 1536934