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METHYL-(2S,3S)-NIATE
SpectraBase Compound ID HjnBxR7MI8Q
InChI InChI=1S/C6H12O3/c1-4(5(2)7)6(8)9-3/h4-5,7H,1-3H3
InChIKey FFJMPYODEQVBEX-UHFFFAOYSA-N
Mol Weight 132.16 g/mol
Molecular Formula C6H12O3
Exact Mass 132.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G9H8ovsYddP
Name Butanoic acid, 3-hydroxy-2-methyl-, methyl ester
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C6H12O3
InChI InChI=1S/C6H12O3/c1-4(5(2)7)6(8)9-3/h4-5,7H,1-3H3
InChIKey FFJMPYODEQVBEX-UHFFFAOYSA-N
Molecular Weight 132.0783
SMILES OC(C(C(OC)=O)C)C
SPLASH splash10-0a4r-9000000000-1dc6b0071978971689dc
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany