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2-Amino-8-(benzo[d]thiazol-2-yl)-7-mercaptothieno[3,2-e][1,4]oxazepin-5(3H)-one
SpectraBase Compound ID Ehk7f4RZVKS
InChI InChI=1S/C14H9N3O2S3/c15-8-5-19-13(18)11-10(17-8)9(14(20)22-11)12-16-6-3-1-2-4-7(6)21-12/h1-4,20H,5H2,(H2,15,17)
InChIKey XKSMZWIRRCZJGY-UHFFFAOYSA-N
Mol Weight 347.43 g/mol
Molecular Formula C14H9N3O2S3
Exact Mass 346.98569 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2vfCUo10FV
Name 2-Amino-8-(benzo[d]thiazol-2-yl)-7-mercaptothieno[3,2-e][1,4]oxazepin-5(3H)-one
Appearance Black powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H9N3O2S3
InChI InChI=1S/C14H9N3O2S3/c15-8-5-19-13(18)11-10(17-8)9(14(20)22-11)12-16-6-3-1-2-4-7(6)21-12/h1-4,20H,5H2,(H2,15,17)
InChIKey XKSMZWIRRCZJGY-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP-1000EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3629
Molecular Weight 347.425 g/mol
SMILES NC1=Nc2c(c(sc2C(OC1)=O)S)-c1sc2c(n1)cccc2
SPLASH splash10-05bf-9851000000-120852d3eb55083189ea
Source of Spectrum Y-56-SM34-18
Wiley ID 1861238