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Terpinolene
SpectraBase Compound ID 6IcEdRjC9PR
InChI InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4H,5-7H2,1-3H3
InChIKey MOYAFQVGZZPNRA-UHFFFAOYSA-N
Mol Weight 136.24 g/mol
Molecular Formula C10H16
Exact Mass 136.125201 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID C8GSk8JgPtm
Name Terpinolene
Acquisition Mode SIMULTANEOUS
CAS Registry Number 69073-38-7; 586-62-9
ChEBI ID 9457
Comments Saturated Terpinolene - 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 C10 H16
IUPAC Name 1-methyl-4-propan-2-ylidenecyclohexene; 4-isopropylidene-1-methyl-cyclohexene; 4-isopropylidene-1-methylcyclohexene; 1-methyl-4-propan-2-ylidene-cyclohexene
InChI InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4H,5-7H2,1-3H3
InChIKey MOYAFQVGZZPNRA-UHFFFAOYSA-N
KEGG Compound ID C06075
PubChem Compound ID 11463
SMILES CC1=CCC(=C(C)C)CC1
Source File Reference bmse000504