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Methyl 12,14-dinitro-dehydroabietate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Methyl 12,14-dinitro-dehydroabietate
SpectraBase Compound ID 61GmAtGDyJw
InChI InChI=1S/C21H28N2O6/c1-12(2)17-15(22(25)26)11-14-13(18(17)23(27)28)7-8-16-20(14,3)9-6-10-21(16,4)19(24)29-5/h11-12,16H,6-10H2,1-5H3/t16?,20-,21-/m1/s1
InChIKey KWPWEUJMWSMPDU-FPDAJAHMSA-N
Mol Weight 404.46 g/mol
Molecular Formula C21H28N2O6
Exact Mass 404.194737 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K1DRrW1jblC
Name Methyl 12,14-dinitro-dehydroabietate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28N2O6
InChI InChI=1S/C21H28N2O6/c1-12(2)17-15(22(25)26)11-14-13(18(17)23(27)28)7-8-16-20(14,3)9-6-10-21(16,4)19(24)29-5/h11-12,16H,6-10H2,1-5H3/t16?,20-,21-/m1/s1
InChIKey KWPWEUJMWSMPDU-FPDAJAHMSA-N
Molecular Weight 404.463 g/mol
SMILES c1(c(c(N(=O)=O)cc2c1CCC1[C@](C(=O)OC)(CCC[C@]21C)C)C(C)C)N(=O)=O
SPLASH splash10-01ro-6029000000-b91432e1e1384a8dffdf
Source of Spectrum SK-28-645-3
Wiley ID 868207