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6-Hydroperoxide-6-methyl-5-carboxyethyl-2,3-dihydro-6H-pyran
SpectraBase Compound ID 9ae1LDDRWYN
InChI InChI=1S/C9H14O5/c1-9(14-12)7(3-2-6-13-9)4-5-8(10)11/h3,12H,2,4-6H2,1H3,(H,10,11)
InChIKey PYEANNZACJQWAW-UHFFFAOYSA-N
Mol Weight 202.21 g/mol
Molecular Formula C9H14O5
Exact Mass 202.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 80NlwyTK8N7
Name 6-Hydroperoxide-6-methyl-5-carboxyethyl-2,3-dihydro-6H-pyran
CAS Registry Number 97732-86-0
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O5
InChI InChI=1S/C9H14O5/c1-9(14-12)7(3-2-6-13-9)4-5-8(10)11/h3,12H,2,4-6H2,1H3,(H,10,11)
InChIKey PYEANNZACJQWAW-UHFFFAOYSA-N
Molecular Weight 202.206 g/mol
SMILES OC(CCC=1C(OO)(OCCC1)C)=O
SPLASH splash10-014i-0900000000-5215daa51b8d185e83ff
Source of Spectrum J-55-5504-3
Synonyms 3-(2-hydroperoxy-2-methyl-5,6-dihydro-2H-pyran-3-yl)propanoic acid
Wiley ID 1199337