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Methyl labd-Z-12-en-19-oate
SpectraBase Compound ID 34W9CckcqEC
InChI InChI=1S/C21H36O2/c1-7-15(2)9-11-17-16(3)10-12-18-20(17,4)13-8-14-21(18,5)19(22)23-6/h9,16-18H,7-8,10-14H2,1-6H3/b15-9-/t16?,17-,18?,20+,21-/m0/s1
InChIKey ZUJZCOSZACWATP-PFJGFHJNSA-N
Mol Weight 320.5 g/mol
Molecular Formula C21H36O2
Exact Mass 320.27153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2IWhT75Q1xL
Name Methyl labd-Z-12-en-19-oate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H36O2
InChI InChI=1S/C21H36O2/c1-7-15(2)9-11-17-16(3)10-12-18-20(17,4)13-8-14-21(18,5)19(22)23-6/h9,16-18H,7-8,10-14H2,1-6H3/b15-9-/t16?,17-,18?,20+,21-/m0/s1
InChIKey ZUJZCOSZACWATP-PFJGFHJNSA-N
Molecular Weight 320.517 g/mol
SMILES [C@@]12(C([C@](C(=O)OC)(C)CCC2)CCC([C@@]1(C\C=C/(CC)C)[H])C)C
SPLASH splash10-00di-1019000000-4f8ab5b6cdc5cec0d2d5
Source of Spectrum Y4-89-720-11
Synonyms Methyl (1S,4aR,5S)-1,4a,6-trimethyl-5-[(2Z)-3-methyl-2-pentenyl]decahydro-1-naphthalenecarboxylate
Wiley ID 840575