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O-xylene
SpectraBase Compound ID E4jBGMtELqd
InChI InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3
InChIKey CTQNGGLPUBDAKN-UHFFFAOYSA-N
Mol Weight 106.17 g/mol
Molecular Formula C8H10
Exact Mass 106.07825 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 30oYbBgpldE
Name o-Xylene
Acquisition Mode SIMULTANEOUS
CAS Registry Number 68411-84-7; 95-47-6; 1330-20-7
ChEBI ID 28063
Comments Saturated o-xylene - Sigma-Aldrich Solvent CDCl3, temperature 298 K
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium
Formula C8 H10
IUPAC Name 1,2-dimethylbenzene
InChI InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3
InChIKey CTQNGGLPUBDAKN-UHFFFAOYSA-N
KEGG Compound ID C07212
KEGG Pathways PATH: ko00622 Toluene and xylene degradation
PubChem Compound ID 7237
SMILES CC1=CC=CC=C1C
Source File Reference bmse000526