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VJXVAMKIBRMTGX-FSVQGMJESA-N
SpectraBase Compound ID 4PgtlJWyWzo
InChI InChI=1S/C9H12/c1-3-6-4-2-5-8(6)9(5)7(3)4/h3-9H,2H2,1H3/t3-,4-,5+,6-,7+,8+,9-
InChIKey VJXVAMKIBRMTGX-FSVQGMJESA-N
Mol Weight 120.19 g/mol
Molecular Formula C9H12
Exact Mass 120.0939 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID vST5W7lyxv
Name VJXVAMKIBRMTGX-FSVQGMJESA-N
Compound Number 53
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H12
InChI InChI=1S/C9H12/c1-3-6-4-2-5-8(6)9(5)7(3)4/h3-9H,2H2,1H3/t3-,4-,5+,6-,7+,8+,9-
InChIKey VJXVAMKIBRMTGX-FSVQGMJESA-N
Literature Reference Author L.D.QUIN,K.C.CASTER,J.C.KISALUS,K.A.MESCH
Literature Reference Citation J.AM.CHEM.SOC.,106,7021(1984)
Literature Reference DOI 10.1021/ja00335a027
Molecular Weight 120.194 g/mol
Solvent CDCl3
Source File Reference UWSF1082