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

*Links on SpectraBase are not permalinks.
7-Methyl-2'-thioxo-3,3a,5,6-tetrahydro-2H,2'H-spiro[1-benzothiophene-4,5'-pyrimidine]-4',6'(1'H,3'H)-dione 1,1-dioxide
SpectraBase Compound ID AKboDqxVRZz
InChI InChI=1S/C12H14N2O4S2/c1-6-2-4-12(7-3-5-20(17,18)8(6)7)9(15)13-11(19)14-10(12)16/h7H,2-5H2,1H3,(H2,13,14,15,16,19)/t7-/m0/s1
InChIKey OEFHXPVYCGECMN-ZETCQYMHSA-N
Mol Weight 314.37 g/mol
Molecular Formula C12H14N2O4S2
Exact Mass 314.039499 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 LGt7xsIAdQf
Name 7-Methyl-2'-thioxo-3,3a,5,6-tetrahydro-2H,2'H-spiro[1-benzothiophene-4,5'-pyrimidine]-4',6'(1'H,3'H)-dione 1,1-dioxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14N2O4S2
InChI InChI=1S/C12H14N2O4S2/c1-6-2-4-12(7-3-5-20(17,18)8(6)7)9(15)13-11(19)14-10(12)16/h7H,2-5H2,1H3,(H2,13,14,15,16,19)/t7-/m0/s1
InChIKey OEFHXPVYCGECMN-ZETCQYMHSA-N
Molecular Weight 314.374 g/mol
SMILES N1C(NC(C2(C1=O)[C@@]1(C(S(=O)(=O)CC1)=C(CC2)C)[H])=O)=S
SPLASH splash10-0006-9100000000-cac186887a9c6b227b8e
Source of Spectrum O1-45-94-10
Wiley ID 1668909