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5-(2,4-ditert-butylphenoxy)-5-keto-valeric acid
SpectraBase Compound ID 2Nk1wnvVZOD
InChI InChI=1S/C19H28O4/c1-18(2,3)13-10-11-15(14(12-13)19(4,5)6)23-17(22)9-7-8-16(20)21/h10-12H,7-9H2,1-6H3,(H,20,21)
InChIKey NKCXRLXNSPAJPL-UHFFFAOYSA-N
Mol Weight 320.43 g/mol
Molecular Formula C19H28O4
Exact Mass 320.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6C1FsCq2dKr
Name 5-(2,4-ditert-butylphenoxy)-5-keto-valeric acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H28O4
InChI InChI=1S/C19H28O4/c1-18(2,3)13-10-11-15(14(12-13)19(4,5)6)23-17(22)9-7-8-16(20)21/h10-12H,7-9H2,1-6H3,(H,20,21)
InChIKey NKCXRLXNSPAJPL-UHFFFAOYSA-N
Molecular Weight 320.429 g/mol
SMILES OC(CCCC(Oc1ccc(C(C)(C)C)cc1C(C)(C)C)=O)=O
SPLASH splash10-052f-3930000000-892d986390c30b9b80cc
Synonyms 5-(2,4-ditert-butylphenoxy)-5-oxidanylidene-pentanoic acid 5-(2,4-ditert-butylphenoxy)-5-oxo-pentanoic acid Pentanedioic acid, (2,4-di-t-butylphenyl) mono-ester
Wiley ID 1490615