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Bicyclo[1.1.1]pentane, propanedioic acid deriv.
SpectraBase Compound ID JIsGFjUqc8h
InChI InChI=1S/C12H18O4/c1-3-15-10(13)9(11(14)16-4-2)12-5-8(6-12)7-12/h8-9H,3-7H2,1-2H3
InChIKey QWNCCWQETVLMHP-UHFFFAOYSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GriQlusDump
Name Bicyclo[1.1.1]pentane, propanedioic acid deriv.
Alternate Name(s) Propanedioic acid, bicyclo[1.1.1]pent-1-yl-, diethyl ester Diethyl 2-(bicyclo[1.1.1]pent-1-yl]propane-1,3-dioate Diethyl 2-bicyclo[1.1.1]pent-1-ylmalonate
CAS Registry Number 131515-32-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-3-15-10(13)9(11(14)16-4-2)12-5-8(6-12)7-12/h8-9H,3-7H2,1-2H3
InChIKey QWNCCWQETVLMHP-UHFFFAOYSA-N
Molecular Weight 226.272 g/mol
SMILES C12(C(C(=O)OCC)C(=O)OCC)CC(C2)C1
SPLASH splash10-004i-9400000000-e4e520bc02e9551064fe
Source of Spectrum J-56-313-14
Wiley ID 1227329