John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=JMDEqcJdH7k SpectraBase Spectrum ID=FlaJtXVGoIW

(accessed ).
NEOMENTHOL, 3,5-DINITROBENZOATE
SpectraBase Compound ID JMDEqcJdH7k
InChI InChI=1S/C17H22N2O6/c1-10(2)15-5-4-11(3)6-16(15)25-17(20)12-7-13(18(21)22)9-14(8-12)19(23)24/h7-11,15-16H,4-6H2,1-3H3/t11-,15+,16+/m1/s1
InChIKey QCZMOPJAAJJHSZ-RLCCDNCMSA-N
Mol Weight 350.37 g/mol
Molecular Formula C17H22N2O6
Exact Mass 350.147787 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FlaJtXVGoIW
Name NEOMENTHOL, 3,5-DINITROBENZOATE
Comments 14
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Formula C17H22N2O6
InChI InChI=1S/C17H22N2O6/c1-10(2)15-5-4-11(3)6-16(15)25-17(20)12-7-13(18(21)22)9-14(8-12)19(23)24/h7-11,15-16H,4-6H2,1-3H3/t11-,15+,16+/m1/s1
InChIKey QCZMOPJAAJJHSZ-RLCCDNCMSA-N
Instrument Name Bruker WH-90
Literature Reference T.I.PEHK, E.T.LIPPMAA, V.I.LYSENKOV, I.I.BARDYSHEV (1979) Zhurn.Org.Khim.(Russ.Lang.): v.15, N9, 1877-1887.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported
SpectraBase Batch ID 7Sls4WcpfTO