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Trans-Communic acid methyl ester
SpectraBase Compound ID 4l4h3rAmpv2
InChI InChI=1S/C21H32O2/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/h7,9,17-18H,1,3,8,10-14H2,2,4-6H3/b15-9+/t17-,18+,20+,21-/m0/s1
InChIKey WYJKGKPQXWDIQP-BRUWWATDSA-N
Mol Weight 316.5 g/mol
Molecular Formula C21H32O2
Exact Mass 316.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 10q0ukUUKkP
Name Trans-Communic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O2
InChI InChI=1S/C21H32O2/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/h7,9,17-18H,1,3,8,10-14H2,2,4-6H3/b15-9+/t17-,18+,20+,21-/m0/s1
InChIKey WYJKGKPQXWDIQP-BRUWWATDSA-N
Literature Reference DOI 10.1002/rcm.3785
Molecular Weight 316.485 g/mol
SMILES C1CC[C@]2([C@@](CCC([C@@]2(C\C=C\(C=C)C)[H])=C)([C@@]1(C)C(OC)=O)[H])C
SPLASH splash10-00di-0922000000-7568f4cf3f5151220816
Source of Spectrum RCM-22-3713-Table1,entry22
Synonyms Methyl (1S,4aR,5S,8aR)-1,4a-dimethyl-6-methylene-5-((E)-3-methylpenta-2,4-dien-1-yl)decahydronaphthalene-1-carboxylate
Wiley ID 1814522