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2-(1-Methyltridecyl)-5-methylcyclohexanone

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2-(1-Methyltridecyl)-5-methylcyclohexanone
SpectraBase Compound ID HIaD9k0V0jU
InChI InChI=1S/C21H40O/c1-4-5-6-7-8-9-10-11-12-13-14-19(3)20-16-15-18(2)17-21(20)22/h18-20H,4-17H2,1-3H3/t18-,19?,20?/m1/s1
InChIKey ZQBBTYMWHDIQEB-XEVCZEQESA-N
Mol Weight 308.6 g/mol
Molecular Formula C21H40O
Exact Mass 308.307916 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C2Yfo3OP2mq
Name 2-(1-METHYLTRIDECYL)-5-METHYLCYCLOHEXANONE
Compound Number 9B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H40O
InChI InChI=1S/C21H40O/c1-4-5-6-7-8-9-10-11-12-13-14-19(3)20-16-15-18(2)17-21(20)22/h18-20H,4-17H2,1-3H3/t18-,19?,20?/m1/s1
InChIKey ZQBBTYMWHDIQEB-XEVCZEQESA-N
Literature Reference Author D.MILLER,F.BILODEAU,R.H.BURNELL
Literature Reference Citation CAN.J.CHEM.,69,1100(1991)
Literature Reference DOI 10.1139/v91-163
Molecular Weight 308.548 g/mol
Solvent CDCl3
Source File Reference UWTS2455