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Isobutyl propane-1,3-diyl dicarbonate

View entire compound with spectra: 1 NMR, and 1 FTIR

Isobutyl propane-1,3-diyl dicarbonate
SpectraBase Compound ID 9CtAvGHcWcu
InChI InChI=1S/C13H24O6/c1-10(2)8-18-12(14)16-6-5-7-17-13(15)19-9-11(3)4/h10-11H,5-9H2,1-4H3
InChIKey APGREAJTDVFYNH-UHFFFAOYSA-N
Mol Weight 276.33 g/mol
Molecular Formula C13H24O6
Exact Mass 276.157288 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5DdD0wZpbAG
Name Isobutyl propane-1,3-diyl dicarbonate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 276.157288487 u
Formula C13H24O6
InChI InChI=1S/C13H24O6/c1-10(2)8-18-12(14)16-6-5-7-17-13(15)19-9-11(3)4/h10-11H,5-9H2,1-4H3
InChIKey APGREAJTDVFYNH-UHFFFAOYSA-N
Molecular Weight 276.329 g/mol
SMILES C(=O)(OCC(C)C)OCCCOC(OCC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.821838