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7-HYDROXYBENZO-[A]-PYREN

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7-HYDROXYBENZO-[A]-PYREN
SpectraBase Compound ID 4ImIajK9XAM
InChI InChI=1S/C20H12O/c21-18-6-2-5-15-16-10-9-13-4-1-3-12-7-8-14(11-17(15)18)20(16)19(12)13/h1-11,21H
InChIKey CNQAYISXCZTDQX-UHFFFAOYSA-N
Mol Weight 268.31 g/mol
Molecular Formula C20H12O
Exact Mass 268.088815 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HoyGjdSg873
Name 7-Hydroxy-benzo(A)pyrene
CAS Registry Number 37994-82-4
Comments 13C LABELLED AT C7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H12O
InChI InChI=1S/C20H12O/c21-18-6-2-5-15-16-10-9-13-4-1-3-12-7-8-14(11-17(15)18)20(16)19(12)13/h1-11,21H
InChIKey CNQAYISXCZTDQX-UHFFFAOYSA-N
Instrument Name Varian FT-80
Literature Reference R.H. Cox, L.A. Levy, Org. Magn. Resonance 21, 173 (1983).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent THF-D8