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2-[o-(7-chloro-4-oxo-4H-3,1-benzoaxazin-2-yl)benzyl]-2-thiopseudourea, monohydrochloeide
SpectraBase Compound ID 9PwDSq6essh
InChI InChI=1S/C16H12ClN3O2S.ClH/c17-10-5-6-12-13(7-10)20-14(22-15(12)21)11-4-2-1-3-9(11)8-23-16(18)19;/h1-7H,8H2,(H3,18,19);1H
InChIKey SPTJQHRUQJEJPH-UHFFFAOYSA-N
Mol Weight 382.27 g/mol
Molecular Formula C16H13Cl2N3O2S
Exact Mass 381.010553 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 5nibbdYqb1P
Name 2-[o-(7-CHLORO-4-OXO-4H-3,1-BENZOXAZIN-2-YL)BENZYL]-2-THIOPSEUDOUREA, MONOHYDROCHLORIDE
Source of Sample MAYBRIDGE CHEMICAL COMPANY LTD., NORTH CORNWALL, ENGLAND
Catalog Number S 14
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13Cl2N3O2S
InChI InChI=1S/C16H12ClN3O2S.ClH/c17-10-5-6-12-13(7-10)20-14(22-15(12)21)11-4-2-1-3-9(11)8-23-16(18)19;/h1-7H,8H2,(H3,18,19);1H
InChIKey SPTJQHRUQJEJPH-UHFFFAOYSA-N
Melting Point 221C
Molecular Weight 382.259003
Synonyms PSEUDOUREA, 2-/O-/7-CHLORO-4-OXO- 4H-3,1-BENZOXAZIN-2-YL/BENZYL/-2-THIO-, MONOHYDROCHLORIDE BENZOXAZIN-4-ONE, 4H-3,1-, 2-/A-/AMIDINOTHIO/-O-TOLYL/-7-CHLORO-, MONOHYDROCHLORIDE
Technique KBr WAFER