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

*Links on SpectraBase are not permalinks.
Propanedioic acid, [3-[1-methyl-5-(trichloroacetyl)-1H-pyrrol-2-yl]propyl]-, dimethyl ester
SpectraBase Compound ID 3LCe9mFm8FX
InChI InChI=1S/C15H18Cl3NO5/c1-19-9(7-8-11(19)12(20)15(16,17)18)5-4-6-10(13(21)23-2)14(22)24-3/h7-8,10H,4-6H2,1-3H3
InChIKey VOSVEEOCRLMCBD-UHFFFAOYSA-N
Mol Weight 398.67 g/mol
Molecular Formula C15H18Cl3NO5
Exact Mass 397.025056 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 GUkBckMjzTO
Name Propanedioic acid, [3-[1-methyl-5-(trichloroacetyl)-1H-pyrrol-2-yl]propyl]-, dimethyl ester
CAS Registry Number 69917-90-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18Cl3NO5
InChI InChI=1S/C15H18Cl3NO5/c1-19-9(7-8-11(19)12(20)15(16,17)18)5-4-6-10(13(21)23-2)14(22)24-3/h7-8,10H,4-6H2,1-3H3
InChIKey VOSVEEOCRLMCBD-UHFFFAOYSA-N
Molecular Weight 398.670 g/mol
SMILES c1(C(C(Cl)(Cl)Cl)=O)[n](c(CCCC(C(=O)OC)C(=O)OC)cc1)C
SPLASH splash10-001i-0090000000-d49dcf0b8c1236fdc8f6
Source of Spectrum C-101-1262-0
Synonyms dimethyl 2-{3-[1-methyl-5-(trichloroacetyl)-1H-pyrrol-2-yl]propyl}malonate Methyl2-methoxycarbonyl-5-(1-methyl-5-trichloroacetyl-2-pyrrolyl)pentanoate
Wiley ID 1367854