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(1S,3R,6R)-Dimethyl 3-Acetoxy-7-(hex-2-en-2-yl)bicyclo[4.3.0]nona-4,7-dien-9,9-dicarboxylate
SpectraBase Compound ID 9ope60Y3cl8
InChI InChI=1S/C21H28O6/c1-6-7-8-13(2)17-12-21(19(23)25-4,20(24)26-5)18-11-15(27-14(3)22)9-10-16(17)18/h8-10,12,15-16,18H,6-7,11H2,1-5H3/b13-8+/t15-,16-,18-/m0/s1
InChIKey RLMDXPOSFJDGJN-LPWZMWNESA-N
Mol Weight 376.45 g/mol
Molecular Formula C21H28O6
Exact Mass 376.188589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3HmNv4NeEaV
Name (1S,3R,6R)-Dimethyl 3-Acetoxy-7-(hex-2-en-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 C21H28O6
InChI InChI=1S/C21H28O6/c1-6-7-8-13(2)17-12-21(19(23)25-4,20(24)26-5)18-11-15(27-14(3)22)9-10-16(17)18/h8-10,12,15-16,18H,6-7,11H2,1-5H3/b13-8+/t15-,16-,18-/m0/s1
InChIKey RLMDXPOSFJDGJN-LPWZMWNESA-N
Molecular Weight 376.449 g/mol
SMILES C1(C=C(\C(=C\CCC)C)[C@]2([C@@]1(C[C@](C=C2)(OC(=O)C)[H])[H])[H])(C(=O)OC)C(=O)OC
SPLASH splash10-0a4j-0692000000-a2603140f36ffe628514
Source of Spectrum J-66-8024-2
Synonyms Dimethyl (3aR,6R,7aS)-6-(acetyloxy)-3-[(1E)-1-methyl-1-pentenyl]-3a,6,7,7a-tetrahydro-1H-indene-1,1-dicarboxylate Dimethyl 3-Acetoxy-7-(hex-2-en-2-yl)bicyclo[4.3.0]nona-4,7-dien-9,9-dicarboxylate
Wiley ID 1568524