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5-(Dicarbomethoxymethyl)-2,3,3a,4,5,7a-hexahydro-(3a.alpha.,5.alpha.,7a.alpha.)-benzofuran
SpectraBase Compound ID 5zakezBCZCw
InChI InChI=1S/C13H18O5/c1-16-12(14)11(13(15)17-2)9-3-4-10-8(7-9)5-6-18-10/h3-4,8-11H,5-7H2,1-2H3/t8-,9+,10+/m1/s1
InChIKey QMFPPHOURWFSKF-UTLUCORTSA-N
Mol Weight 254.28 g/mol
Molecular Formula C13H18O5
Exact Mass 254.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kb8tf9d2Tt7
Name 5-(Dicarbomethoxymethyl)-2,3,3a,4,5,7a-hexahydro-(3a.alpha.,5.alpha.,7a.alpha.)-benzofuran
Alternate Name(s) Dimethyl 2-[(3aS,5R,7aR)-2,3,3a,4,5,7a-hexahydro-1-benzofuran-5-yl]malonate
CAS Registry Number 141612-69-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O5
InChI InChI=1S/C13H18O5/c1-16-12(14)11(13(15)17-2)9-3-4-10-8(7-9)5-6-18-10/h3-4,8-11H,5-7H2,1-2H3/t8-,9+,10+/m1/s1
InChIKey QMFPPHOURWFSKF-UTLUCORTSA-N
Molecular Weight 254.282 g/mol
SMILES C([C@]1(C=C[C@]2([C@@](C1)(CCO2)[H])[H])[H])(C(=O)OC)C(=O)OC
SPLASH splash10-00di-1900000000-191e54a3cb4f036b611d
Source of Spectrum C-114-6380-39
Wiley ID 1257523