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BVTDLBPQFLIRKA-UHFFFAOYSA-N

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BVTDLBPQFLIRKA-UHFFFAOYSA-N
SpectraBase Compound ID KrDyfhbxoqI
InChI InChI=1S/C14H11N3S/c1-17-13-9(8-15-17)6-7-11-14(13)18-12-5-3-2-4-10(12)16-11/h2-8,16H,1H3
InChIKey BVTDLBPQFLIRKA-UHFFFAOYSA-N
Mol Weight 253.32 g/mol
Molecular Formula C14H11N3S
Exact Mass 253.067369 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F1w0bPhdYoE
Name BVTDLBPQFLIRKA-UHFFFAOYSA-N
Compound Number 2E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H11N3S
InChI InChI=1S/C14H11N3S/c1-17-13-9(8-15-17)6-7-11-14(13)18-12-5-3-2-4-10(12)16-11/h2-8,16H,1H3
InChIKey BVTDLBPQFLIRKA-UHFFFAOYSA-N
Literature Reference Author G.BOYER,J.P.GALY,R.FAURE,J.BARBE
Literature Reference Citation MAGN.RES.CHEM.,32,537(1994)
Literature Reference DOI 10.1002/mrc.1260320907
Molecular Weight 253.321 g/mol
Solvent DMSO-D6
Source File Reference UWCP825