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Butanedioic acid, [2-(tetrahydro-2-methyl-2-furanyl)ethyl]-, 1-ethyl ester
SpectraBase Compound ID KLBAsX3qRbm
InChI InChI=1S/C13H22O5/c1-3-17-12(16)10(9-11(14)15)5-7-13(2)6-4-8-18-13/h10H,3-9H2,1-2H3,(H,14,15)
InChIKey QSPYIEPBDQBASW-UHFFFAOYSA-N
Mol Weight 258.31 g/mol
Molecular Formula C13H22O5
Exact Mass 258.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5BM4gv6CMX
Name Butanedioic acid, [2-(tetrahydro-2-methyl-2-furanyl)ethyl]-, 1-ethyl ester
CAS Registry Number 94483-79-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O5
InChI InChI=1S/C13H22O5/c1-3-17-12(16)10(9-11(14)15)5-7-13(2)6-4-8-18-13/h10H,3-9H2,1-2H3,(H,14,15)
InChIKey QSPYIEPBDQBASW-UHFFFAOYSA-N
Molecular Weight 258.314 g/mol
SMILES OC(CC(C(=O)OCC)CCC1(OCCC1)C)=O
SPLASH splash10-000i-9000000000-c4955a7b701fbab254cb
Source of Spectrum J-50-214-0
Synonyms 1-Ethyl hydrogen 2-[2-(tetrahydro-2-methyl-2-furanyl)ethyl]butanedioate 3-(ethoxycarbonyl)-5-(2-methyltetrahydro-2-furanyl)pentanoic acid
Wiley ID 1261561