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2,3a(4H)-Benzofurandicarboxylic acid, 5,6,7,7a-tetrahydro-4-methoxy-6-oxo-, dimethyl ester, (3a.alpha.,4.alpha.,7a.alpha.)-

View entire compound with spectra: 1 MS (GC)

2,3a(4H)-Benzofurandicarboxylic acid, 5,6,7,7a-tetrahydro-4-methoxy-6-oxo-, dimethyl ester, (3a.alpha.,4.alpha.,7a.alpha.)-
SpectraBase Compound ID 6GSLFIvs3ko
InChI InChI=1S/C13H16O7/c1-17-9-4-7(14)5-10-13(9,12(16)19-3)6-8(20-10)11(15)18-2/h6,9-10H,4-5H2,1-3H3/t9-,10-,13-/m1/s1
InChIKey WMKMBSCTYPGPIQ-GIPNMCIBSA-N
Mol Weight 284.26 g/mol
Molecular Formula C13H16O7
Exact Mass 284.089603 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID oasIIni3R9
Name 2,3a(4H)-Benzofurandicarboxylic acid, 5,6,7,7a-tetrahydro-4-methoxy-6-oxo-, dimethyl ester, (3a.alpha.,4.alpha.,7a.alpha.)-
Alternate Name(s) Dimethyl (3aR,4R,7aR)-4-methoxy-6-oxo-5,6,7,7a-tetrahydro-1-benzofuran-2,3a(4H)-dicarboxylate
CAS Registry Number 117252-36-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O7
InChI InChI=1S/C13H16O7/c1-17-9-4-7(14)5-10-13(9,12(16)19-3)6-8(20-10)11(15)18-2/h6,9-10H,4-5H2,1-3H3/t9-,10-,13-/m1/s1
InChIKey WMKMBSCTYPGPIQ-GIPNMCIBSA-N
Molecular Weight 284.264 g/mol
SMILES [C@@]12(C=C(C(=O)OC)O[C@@]2(CC(C[C@]1(OC)[H])=O)[H])C(=O)OC
SPLASH splash10-0zgi-2900000000-934a3b104b34c5c3f231
Source of Spectrum J-53-5853-22
Wiley ID 1287516