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

*Links on SpectraBase are not permalinks.
Methyl 4-[5'-imino-4'-phenyl-.delta(2).-1,3,4-thiadiazolin-2'-yl]-5-oxopentanoate
SpectraBase Compound ID JXR1FJ6XPUs
InChI InChI=1S/C14H15N3O3S/c1-20-12(19)9-5-8-11(18)13-16-17(14(15)21-13)10-6-3-2-4-7-10/h2-4,6-7,15H,5,8-9H2,1H3
InChIKey TVKKXYYPWFCUDL-UHFFFAOYSA-N
Mol Weight 305.35 g/mol
Molecular Formula C14H15N3O3S
Exact Mass 305.083413 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 1lDNTr04Gg8
Name Methyl 4-[5'-imino-4'-phenyl-.delta(2).-1,3,4-thiadiazolin-2'-yl]-5-oxopentanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15N3O3S
InChI InChI=1S/C14H15N3O3S/c1-20-12(19)9-5-8-11(18)13-16-17(14(15)21-13)10-6-3-2-4-7-10/h2-4,6-7,15H,5,8-9H2,1H3
InChIKey TVKKXYYPWFCUDL-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.19973300302
Molecular Weight 305.352 g/mol
SMILES N=C1N(N=C(C(CCCC(OC)=O)=O)S1)c1ccccc1
SPLASH splash10-004i-1902000000-a6f34b33697a8ed7e05c
Source of Spectrum APP-330-52-13
Synonyms Methyl 5-(5-imino-4-phenyl-4,5-dihydro-1,3,4-thiadiazol-2-yl)-5-oxopentanoate Methyl 5-(5-imino-4-phenyl-.delta.2-1,3,4-thiadiazolin-2-yl)5-oxopentanoate
Wiley ID 1770151