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(3aR*,4S*,5R*,8R/S*,8aS*)-(+-)-Dimethyl decahydro-8-methyl-3,5-(2'-oxa-3'-propan-1'-ylidene)azulene-3a,4-dicarboxylate
SpectraBase Compound ID HmN4JzgiFA8
InChI InChI=1S/C17H24O5/c1-10-4-5-11-8-22-9-12-6-7-13(10)17(12,16(19)21-3)14(11)15(18)20-2/h9-11,13-14H,4-8H2,1-3H3/t10-,11-,13+,14-,17-/m1/s1
InChIKey QJFOZJPAPNTXAW-KRNVLHRQSA-N
Mol Weight 308.37 g/mol
Molecular Formula C17H24O5
Exact Mass 308.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EDivJMb6p29
Name (3aR*,4S*,5R*,8R/S*,8aS*)-(+-)-Dimethyl decahydro-8-methyl-3,5-(2'-oxa-3'-propan-1'-ylidene)azulene-3a,4-dicarboxylate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24O5
InChI InChI=1S/C17H24O5/c1-10-4-5-11-8-22-9-12-6-7-13(10)17(12,16(19)21-3)14(11)15(18)20-2/h9-11,13-14H,4-8H2,1-3H3/t10-,11-,13+,14-,17-/m1/s1
InChIKey QJFOZJPAPNTXAW-KRNVLHRQSA-N
Molecular Weight 308.374 g/mol
SMILES [C@@]12([C@@](C(=O)OC)([C@@]3(CC[C@]([C@@]2(CCC1=COC3)[H])(C)[H])[H])[H])C(=O)OC
SPLASH splash10-0002-0091000000-fe446d255b8c2504c44a
Source of Spectrum F-55-1034-3
Wiley ID 836553