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3a,7a:4,7-Dietheno-1H-indene-5,6-dicarboxylic acid, 4,7-dihydro-, dimethyl ester, (3a.alpha.,4.alpha.,7.alpha.,7a.alpha.)-

View entire compound with spectra: 1 MS (GC)

3a,7a:4,7-Dietheno-1H-indene-5,6-dicarboxylic acid, 4,7-dihydro-, dimethyl ester, (3a.alpha.,4.alpha.,7.alpha.,7a.alpha.)-
SpectraBase Compound ID 6cPzworQEZ8
InChI InChI=1S/C17H16O4/c1-20-14(18)12-10-4-5-11(13(12)15(19)21-2)17-7-3-6-16(10,17)8-9-17/h3-6,8-11H,7H2,1-2H3/t10-,11+,16-,17+/m0/s1
InChIKey BGZZAMBFCQNREU-SKZFOKARSA-N
Mol Weight 284.31 g/mol
Molecular Formula C17H16O4
Exact Mass 284.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 82gX2J9PKza
Name 3a,7a:4,7-Dietheno-1H-indene-5,6-dicarboxylic acid, 4,7-dihydro-, dimethyl ester, (3a.alpha.,4.alpha.,7.alpha.,7a.alpha.)-
Alternate Name(s) Dimethyl (1R,2S,5R,6S)-tetracyclo[4.3.2.2(2,5).0(1,6)]trideca-3,7,10,12-tetraene-3,4-dicarboxylate Dimethyl 2,5-etheno[4.3.2]propella-3,8,10-trien-3,4-dicarboxylate
CAS Registry Number 131236-31-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16O4
InChI InChI=1S/C17H16O4/c1-20-14(18)12-10-4-5-11(13(12)15(19)21-2)17-7-3-6-16(10,17)8-9-17/h3-6,8-11H,7H2,1-2H3/t10-,11+,16-,17+/m0/s1
InChIKey BGZZAMBFCQNREU-SKZFOKARSA-N
Molecular Weight 284.311 g/mol
SMILES C1(=C([C@@]2([C@@]34[C@]([C@]1(C=C2)[H])(C=C4)C=CC3)[H])C(=O)OC)C(=O)OC
SPLASH splash10-0006-9400000000-de8645d94d585cdbaa9e
Source of Spectrum J-56-1001-12
Wiley ID 1288063