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Dimethyl 5,6,7,7a-tetrahydro-3-methyl-4H-isobenzofuran-1,1-dicarboxylate
SpectraBase Compound ID 7nHkeX17T16
InChI InChI=1S/C13H18O5/c1-8-9-6-4-5-7-10(9)13(18-8,11(14)16-2)12(15)17-3/h10H,4-7H2,1-3H3
InChIKey XTEGJCLDTBDTSX-UHFFFAOYSA-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 5HfP22DrrU
Name Dimethyl 5,6,7,7a-tetrahydro-3-methyl-4H-isobenzofuran-1,1-dicarboxylate
Alternate Name(s) Dimethyl 3-methyl-5,6,7,7a-tetrahydro-2-benzofuran-1,1(4H)-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O5
InChI InChI=1S/C13H18O5/c1-8-9-6-4-5-7-10(9)13(18-8,11(14)16-2)12(15)17-3/h10H,4-7H2,1-3H3
InChIKey XTEGJCLDTBDTSX-UHFFFAOYSA-N
Molecular Weight 254.282 g/mol
SMILES C1(OC(C)=C2C1CCCC2)(C(=O)OC)C(=O)OC
SPLASH splash10-01rb-2900000000-928ed64faed7ae5db6e5
Source of Spectrum H-86-296-10
Wiley ID 1525269