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3-METHYL-2-HEPTENENITRILE;ISOMER_1

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3-METHYL-2-HEPTENENITRILE;ISOMER_1
SpectraBase Compound ID BLTURrt0AqL
InChI InChI=1S/C8H13N/c1-3-4-5-8(2)6-7-9/h6H,3-5H2,1-2H3/b8-6+
InChIKey MKBWCEYLCHAHRG-SOFGYWHQSA-N
Mol Weight 123.2 g/mol
Molecular Formula C8H13N
Exact Mass 123.104799 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4kJsOdr6EVn
Name 3-METHYL-2-HEPTENENITRILE;ISOMER_2
Compound Number VIII
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H13N
InChI InChI=1S/C8H13N/c1-3-4-5-8(2)6-7-9/h6H,3-5H2,1-2H3/b8-6+
InChIKey MKBWCEYLCHAHRG-SOFGYWHQSA-N
Literature Reference Author T.T.VASILEVA,N.A.KUZMINA,O.V.CHAKHOVSKAYA,N.E.MYSOVA,A.B.TER ENTEV
Literature Reference Citation RUSS.J.ORG.CHEM.,40,174(2004)
Literature Reference DOI 10.1023/B:RUJO.0000034937.39138.2a
Molecular Weight 123.198 g/mol
Solvent CDCl3
Source File Reference UWMZ16544