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2,6-Methanobenzofuran-3a,7a-dicarboxylic acid, 2,3,6,7-tetrahydro-, dimethyl ester, (.+-.)-
SpectraBase Compound ID RLPc92cDWN
InChI InChI=1S/C13H16O5/c1-16-10(14)12-4-3-8-5-9(7-12)18-13(12,6-8)11(15)17-2/h3-4,8-9H,5-7H2,1-2H3/t8-,9-,12+,13-/m1/s1
InChIKey SBUAZKADZRGHKV-MNUQUWEESA-N
Mol Weight 252.27 g/mol
Molecular Formula C13H16O5
Exact Mass 252.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 99L0Xh0mKwW
Name 2,6-Methanobenzofuran-3a,7a-dicarboxylic acid, 2,3,6,7-tetrahydro-, dimethyl ester, (.+-.)-
Alternate Name(s) 5,9-Dimethoxycarbonyl-4,9-epoxy-tricyclo[3.2.2]nona-6-ene Dimethyl 9-oxatricyclo[4.3.1.0(3,8)]dec-4-ene-3,8-dicarboxylate
CAS Registry Number 115651-72-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O5
InChI InChI=1S/C13H16O5/c1-16-10(14)12-4-3-8-5-9(7-12)18-13(12,6-8)11(15)17-2/h3-4,8-9H,5-7H2,1-2H3/t8-,9-,12+,13-/m1/s1
InChIKey SBUAZKADZRGHKV-MNUQUWEESA-N
Molecular Weight 252.266 g/mol
SMILES [C@@]12([C@]3(O[C@@](C2)(C[C@@](C=C1)(C3)[H])[H])C(=O)OC)C(=O)OC
SPLASH splash10-0ktf-4920000000-1591868c910f07eb689b
Source of Spectrum J-53-4069-18
Wiley ID 1255359