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(1S,3R,6R)-Dimethyl 3-Acetoxy-7-(3-methylbuten-2-yl)bicyclo[4.3.0]nona-4,7-dien-9,9-dicarboxylate
SpectraBase Compound ID EehJVIqDIJt
InChI InChI=1S/C20H26O6/c1-11(2)12(3)16-10-20(18(22)24-5,19(23)25-6)17-9-14(26-13(4)21)7-8-15(16)17/h7-8,10-11,14-15,17H,3,9H2,1-2,4-6H3/t14-,15-,17-/m0/s1
InChIKey CPFXUTHRQPZDDT-ZOBUZTSGSA-N
Mol Weight 362.42 g/mol
Molecular Formula C20H26O6
Exact Mass 362.172939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5HgTMR5t2Tg
Name (1S,3R,6R)-Dimethyl 3-Acetoxy-7-(3-methylbuten-2-yl)bicyclo[4.3.0]nona-4,7-dien-9,9-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O6
InChI InChI=1S/C20H26O6/c1-11(2)12(3)16-10-20(18(22)24-5,19(23)25-6)17-9-14(26-13(4)21)7-8-15(16)17/h7-8,10-11,14-15,17H,3,9H2,1-2,4-6H3/t14-,15-,17-/m0/s1
InChIKey CPFXUTHRQPZDDT-ZOBUZTSGSA-N
Molecular Weight 362.422 g/mol
SMILES C1(C=C(C(=C)C(C)C)[C@]2([C@@]1(C[C@](C=C2)(OC(=O)C)[H])[H])[H])(C(=O)OC)C(=O)OC
SPLASH splash10-003u-0690000000-9240377fe9e64ad174d2
Source of Spectrum J-66-8024-2
Synonyms Dimethyl (3aR,6R,7aS)-6-(acetyloxy)-3-(1-isopropylvinyl)-3a,6,7,7a-tetrahydro-1H-indene-1,1-dicarboxylate Dimethyl 3-Acetoxy-7-(3-methylbuten-2-yl)bicyclo[4.3.0]nona-4,7-dien-9,9-dicarboxylate isomer
Wiley ID 1568525