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2-Furanacetic acid, 2-(1,1-dimethylethyl)-2,5-dihydro-4-methoxy-5-oxo-
SpectraBase Compound ID 2iAIZQLD3po
InChI InChI=1S/C11H16O5/c1-10(2,3)11(6-8(12)13)5-7(15-4)9(14)16-11/h5H,6H2,1-4H3,(H,12,13)
InChIKey BTHREOHMKLJIHJ-UHFFFAOYSA-N
Mol Weight 228.24 g/mol
Molecular Formula C11H16O5
Exact Mass 228.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G7Ng7mzKzqo
Name 2-Furanacetic acid, 2-(1,1-dimethylethyl)-2,5-dihydro-4-methoxy-5-oxo-
CAS Registry Number 50521-98-7
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O5
InChI InChI=1S/C11H16O5/c1-10(2,3)11(6-8(12)13)5-7(15-4)9(14)16-11/h5H,6H2,1-4H3,(H,12,13)
InChIKey BTHREOHMKLJIHJ-UHFFFAOYSA-N
Molecular Weight 228.244 g/mol
SMILES OC(CC1(C=C(OC)C(O1)=O)C(C)(C)C)=O
SPLASH splash10-00fr-0900000000-446b1cc83744c61bac81
Source of Spectrum SB-31-558-0
Synonyms (2-tert-butyl-4-methoxy-5-oxo-2,5-dihydro-2-furanyl)acetic acid 2,5-Dihydro-5-oxo-4-methoxy-2-t-butylfuran-2-acetic acid 2-(2-tert-butyl-4-methoxy-5-oxo-2-furanyl)acetic acid 2-(2-tert-butyl-4-methoxy-5-oxofuran-2-yl)acetic acid 2-(2-tert-butyl-4-methoxy-5-oxo-2-furyl)acetic acid 2-(2-tert-butyl-4-methoxy-5-oxidanylidene-furan-2-yl)ethanoic acid
Wiley ID 1229375