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

*Links on SpectraBase are not permalinks.
2-[[(NE)-N-[amino(phenyl)methylene]-N'-phenyl-amidino]thio]acetic acid ethyl ester
SpectraBase Compound ID 7tDBzrEfsQV
InChI InChI=1S/C18H19N3O2S/c1-2-23-16(22)13-24-18(20-15-11-7-4-8-12-15)21-17(19)14-9-5-3-6-10-14/h3-12H,2,13H2,1H3,(H2,19,20,21)
InChIKey AODPUJFFKMXATE-UHFFFAOYSA-N
Mol Weight 341.43 g/mol
Molecular Formula C18H19N3O2S
Exact Mass 341.119798 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 EVVloHJ2c6w
Name 2-[[(NE)-N-[amino(phenyl)methylene]-N'-phenyl-amidino]thio]acetic acid ethyl ester
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19N3O2S
InChI InChI=1S/C18H19N3O2S/c1-2-23-16(22)13-24-18(20-15-11-7-4-8-12-15)21-17(19)14-9-5-3-6-10-14/h3-12H,2,13H2,1H3,(H2,19,20,21)
InChIKey AODPUJFFKMXATE-UHFFFAOYSA-N
Molecular Weight 341.429 g/mol
SMILES N\C(=N\C(=N\c1ccccc1)SCC(=O)OCC)c1ccccc1
SPLASH splash10-00dl-0095000000-66868d59703010ebf4b2
Source of Spectrum J-65-7247-5
Synonyms 2-[[(NZ)-N-[amino(phenyl)methylene]-N'-phenyl-amidino]thio]acetic acid ethyl ester 2-[[[(E)-[amino(phenyl)methylidene]amino]-phenyliminomethyl]thio]acetic acid ethyl ester 2-[[[(Z)-[amino(phenyl)methylidene]amino]-phenyliminomethyl]thio]acetic acid ethyl ester ethyl 2-[(NE)-N-[amino(phenyl)methylene]-N'-phenyl-carbamimidoyl]sulfanylacetate ethyl 2-[(NE)-N-[amino(phenyl)methylidene]-N'-phenylcarbamimidoyl]sulfanylacetate ethyl 2-[(NE)-N-[azanyl(phenyl)methylidene]-N'-phenyl-carbamimidoyl]sulfanylethanoate ethyl 2-[(NZ)-N-[amino(phenyl)methylene]-N'-phenyl-carbamimidoyl]sulfanylacetate ethyl 2-[(NZ)-N-[amino(phenyl)methylidene]-N'-phenylcarbamimidoyl]sulfanylacetate ethyl 2-[(NZ)-N-[azanyl(phenyl)methylidene]-N'-phenyl-carbamimidoyl]sulfanylethanoate
Wiley ID 1533565