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Dimethyl 14,15,16-trinor-labdan-13,17-dioate

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

Dimethyl 14,15,16-trinor-labdan-13,17-dioate
SpectraBase Compound ID 2fleyn0U5dN
InChI InChI=1S/C19H32O4/c1-18(2)11-6-12-19(3)14(8-10-16(20)22-4)13(17(21)23-5)7-9-15(18)19/h13-15H,6-12H2,1-5H3/t13-,14-,15?,19+/m0/s1
InChIKey DQWKUXUZAGGXTB-IFWYCJITSA-N
Mol Weight 324.5 g/mol
Molecular Formula C19H32O4
Exact Mass 324.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J1unKRCl95R
Name Dimethyl 14,15,16-trinor-labdan-13,17-dioate
Comments Computed using HOSE algorithm
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Exact Mass 324.230059506 u
Formula C19H32O4
InChI InChI=1S/C19H32O4/c1-18(2)11-6-12-19(3)14(8-10-16(20)22-4)13(17(21)23-5)7-9-15(18)19/h13-15H,6-12H2,1-5H3/t13-,14-,15?,19+/m0/s1
InChIKey DQWKUXUZAGGXTB-IFWYCJITSA-N
Molecular Weight 324.461 g/mol
SMILES [C@@]12([C@]([C@@](C(=O)OC)(CCC2C(C)(C)CCC1)[H])(CCC(=O)OC)[H])C