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1-METHYL-AZULEN

View entire compound with spectra: 6 NMR, and 1 MS (GC)

1-METHYL-AZULEN
SpectraBase Compound ID EolWVrLTKTl
InChI InChI=1S/C11H10/c1-9-7-8-10-5-3-2-4-6-11(9)10/h2-8H,1H3
InChIKey WSQIUQGZWDQMEL-UHFFFAOYSA-N
Mol Weight 142.2 g/mol
Molecular Formula C11H10
Exact Mass 142.07825 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JdC4F1mDyZu
Name 1-Methyl-azulene
CAS Registry Number 769-31-3
Comments J(C,H) FROM 2ND REF. J(C,C) FROM S.BERGER,K.P.ZELLER,J.ORG.CHEM.49,3725(1984) S.BRAUN,J.KINKELDEI,L.WALTHER,ORG.MAGN.RESONANCE 14,466(
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H10
InChI InChI=1S/C11H10/c1-9-7-8-10-5-3-2-4-6-11(9)10/h2-8H,1H3
InChIKey WSQIUQGZWDQMEL-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference S. Braun, J. Kinkeldei, Tetrahedron 33, 1827 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3