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ZUJZCOSZACWATP-DGQQPTJWSA-N
SpectraBase Compound ID II24CBIVGND
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-DGQQPTJWSA-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 2eanMzxYWCn
Name Methyl labd-E-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-DGQQPTJWSA-N
Molecular Weight 320.517 g/mol
SMILES [C@@]12(C([C@](C(=O)OC)(C)CCC2)CC[C@@]([C@@]1(C\C=C\(CC)C)[H])(C)[H])C
SPLASH splash10-004r-5961000000-72362d20a73c29ed4c1f
Source of Spectrum Y4-89-720-9
Synonyms Methyl (1S,4aR,5S)-1,4a,6-trimethyl-5-[(2E)-3-methyl-2-pentenyl]decahydro-1-naphthalenecarboxylate
Wiley ID 840576