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trans,cis,trans-3,12-diacetoxytricyclo[6.4.0.0(2,7)]dodeca-3,11-diene
SpectraBase Compound ID 89kwr8rT7I
InChI InChI=1S/C16H20O4/c1-9(17)19-13-7-3-5-11-12-6-4-8-14(20-10(2)18)16(12)15(11)13/h7-8,11-12,15-16H,3-6H2,1-2H3/t11-,12+,15-,16+
InChIKey JCBCGZPMYIFXOK-HMEQZMJYSA-N
Mol Weight 276.33 g/mol
Molecular Formula C16H20O4
Exact Mass 276.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4jMSWEdfps0
Name trans,cis,trans-3,12-diacetoxytricyclo[6.4.0.0(2,7)]dodeca-3,11-diene
CAS Registry Number 115018-92-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O4
InChI InChI=1S/C16H20O4/c1-9(17)19-13-7-3-5-11-12-6-4-8-14(20-10(2)18)16(12)15(11)13/h7-8,11-12,15-16H,3-6H2,1-2H3/t11-,12+,15-,16+
InChIKey JCBCGZPMYIFXOK-HMEQZMJYSA-N
Molecular Weight 276.332 g/mol
SMILES [C@@]12([C@@]3(C(OC(=O)C)=CCC[C@]3([C@]2(CCC=C1OC(=O)C)[H])[H])[H])[H]
SPLASH splash10-0002-9100000000-e859dcf4d529eba184cc
Source of Spectrum K-121-2003-15
Synonyms (4aR,4bS,8aR,8bS)-8-(acetyloxy)-3,4,4a,4b,5,6,8a,8b-octahydro-1-biphenylenyl acetate trans,cis,trans-6,12-diacetoxytricyclo[6.4.0.0(2,7)]dodeca-5,11-diene
Wiley ID 1280181