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Butanoic acid, 2-hydroxy-3-methyl-4-(phenylmethoxy)-, [S-(R*,R*)]-
SpectraBase Compound ID InFkU5b62Uq
InChI InChI=1S/C12H16O4/c1-9(11(13)12(14)15)7-16-8-10-5-3-2-4-6-10/h2-6,9,11,13H,7-8H2,1H3,(H,14,15)
InChIKey CLKARNMEGICOCB-UHFFFAOYSA-N
Mol Weight 224.26 g/mol
Molecular Formula C12H16O4
Exact Mass 224.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4qL2ttfYUQ2
Name BUTANOIC ACID, 2-HYDROXY-3-METHYL-4-(PHENYLMETHOXY)-, [S-(R*,R*)]-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H16O4
InChI InChI=1S/C12H16O4/c1-9(11(13)12(14)15)7-16-8-10-5-3-2-4-6-10/h2-6,9,11,13H,7-8H2,1H3,(H,14,15)
InChIKey CLKARNMEGICOCB-UHFFFAOYSA-N
Molecular Weight 224.1044
SMILES OC(C(O)C(C)COCc1ccccc1)=O
SPLASH splash10-052f-9300000000-3b01e67842ead4acce88
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany