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2-[(p-CYANOBENZYL)THIO]-1,4,5,6-TETRAHYDROPYRIMIDINE, MONOHYDROBROMIDE
SpectraBase Compound ID EObRY87Q1nY
InChI InChI=1S/C12H13N3S.BrH/c13-8-10-2-4-11(5-3-10)9-16-12-14-6-1-7-15-12;/h2-5H,1,6-7,9H2,(H,14,15);1H
InChIKey QQLWVLYRWVVMOP-UHFFFAOYSA-N
Mol Weight 312.23 g/mol
Molecular Formula C12H14BrN3S
Exact Mass 311.009182 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 2JGjJNn8osU
Name 2-[(p-CYANOBENZYL)THIO]-1,4,5,6-TETRAHYDROPYRIMIDINE, MONOHYDROBROMIDE
Source of Sample MAYBRIDGE CHEMICAL COMPANY LTD., NORTH CORNWALL, ENGLAND
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14BrN3S
InChI InChI=1S/C12H13N3S.BrH/c13-8-10-2-4-11(5-3-10)9-16-12-14-6-1-7-15-12;/h2-5H,1,6-7,9H2,(H,14,15);1H
InChIKey QQLWVLYRWVVMOP-UHFFFAOYSA-N
Melting Point ~225C
Molecular Weight 312.234985
Synonyms PYRIMIDINE, 2-//P-CYANOBENZYL/- THIO/-1,4,5,6-TETRAHYDRO-, MONOHYDRO- BROMIDE P-TOLUNITRILE, A-//1,4,5,6-TETRA- HYDRO-2-PYRIMIDINYL/THIO/-, MONOHYDRO- BROMIDE
Technique KBr WAFER