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PKUAWSXOIFVRQR-UHFFFAOYSA-N

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PKUAWSXOIFVRQR-UHFFFAOYSA-N
SpectraBase Compound ID JMGWCxnzxY2
InChI InChI=1S/C8H7ClN3/c9-7-6-5(1-3-11-7)2-4-12-8(6)10/h1-4,8H,10H2/q-1
InChIKey PKUAWSXOIFVRQR-UHFFFAOYSA-N
Mol Weight 180.62 g/mol
Molecular Formula C8H7ClN3
Exact Mass 180.03285 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Da1a9ahcOdx
Name PKUAWSXOIFVRQR-UHFFFAOYSA-N
Compound Number 6A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H7ClN3
InChI InChI=1S/C8H7ClN3/c9-7-6-5(1-3-11-7)2-4-12-8(6)10/h1-4,8H,10H2/q-1
InChIKey PKUAWSXOIFVRQR-UHFFFAOYSA-N
Literature Reference Author H.J.W.VANDENHAAK,H.C.VANDERPLAS
Literature Reference Citation REC.TR.CH.P.-B.,102,235(1983)
Molecular Weight 180.617 g/mol
Solvent KNH2:NH3
Source File Reference UWCS7770