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2-Furancarboxylic acid, butyl ester

View entire compound with spectra: 3 MS (GC)

2-Furancarboxylic acid, butyl ester
SpectraBase Compound ID 8jfzZmUhMiK
InChI InChI=1S/C9H12O3/c1-2-3-6-12-9(10)8-5-4-7-11-8/h4-5,7H,2-3,6H2,1H3
InChIKey PAMQYEWNNPDBLM-UHFFFAOYSA-N
Mol Weight 168.19 g/mol
Molecular Formula C9H12O3
Exact Mass 168.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LJ74o3jZdS8
Name 2-Furancarboxylic acid, butyl ester
Alternate Name(s) 2-Furoic acid, butyl ester 2-Furoic acid, n-butyl ester Butyl furan-2-carboxylate Butyl 2-furancarboxylate Butyl 2-furoate Butyl furoate n-Butyl furoate Furan-2-carboxylic acid butyl ester 2-Furancarboxylic acid butyl ester AI3-00646 BRN 0117938 NSC 5602
CAS Registry Number 583-33-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O3
InChI InChI=1S/C9H12O3/c1-2-3-6-12-9(10)8-5-4-7-11-8/h4-5,7H,2-3,6H2,1H3
InChIKey PAMQYEWNNPDBLM-UHFFFAOYSA-N
Molecular Weight 168.192 g/mol
SMILES c1(occc1)C(=O)OCCCC
SPLASH splash10-03dj-9800000000-ddb7b986c425e2587249
Source of Spectrum JX-2015-6-6501
Wiley ID 1729378