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MONOBUTYL ITACONATE

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

MONOBUTYL ITACONATE
SpectraBase Compound ID EEoXjXFJmAx
InChI InChI=1S/2C9H14O4/c1-3-4-5-13-8(10)6-7(2)9(11)12;1-3-4-5-13-9(12)7(2)6-8(10)11/h2-6H2,1H3,(H,11,12);2-6H2,1H3,(H,10,11)
InChIKey QUMWCUZAZWELHZ-UHFFFAOYSA-N
Mol Weight 372.41 g/mol
Molecular Formula C18H28O8
Exact Mass 372.178418 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 8WPYIUFzOU0
Name MONOBUTYL ITACONATE
Source of Sample Polysciences, Inc., Warrington, Pennsylvania
CAS Registry Number 6439-57-2
Classification MISCELLANEOUS ESTERS; CARBOXYLIC ACIDS
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O4
InChI InChI=1S/2C9H14O4/c1-3-4-5-13-8(10)6-7(2)9(11)12;1-3-4-5-13-9(12)7(2)6-8(10)11/h2-6H2,1H3,(H,11,12);2-6H2,1H3,(H,10,11)
InChIKey QUMWCUZAZWELHZ-UHFFFAOYSA-N
Instrument Name Bio-Rad FTS 175C with Raman accessory
Melting Point 28-30C
Molecular Weight 186.21
Raman Corrections Referenced to internal white light source; Baseline subtracted
Raman Laser Source Nd:YAG
Synonyms ITACONIC ACID, MONOBUTYL ESTER METHYLENESUCCINIC ACID, MONOBUTYL ESTER
Technique FT-Raman