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cis-2,3-Dimethyl-4-(2-isopropoxycarbonyl)butyric acid
SpectraBase Compound ID VKQ6QmaDIe
InChI InChI=1S/C9H16O4/c1-5(2)13-9(12)7(4)6(3)8(10)11/h5-7H,1-4H3,(H,10,11)/t6-,7+/m1/s1
InChIKey TUHWVAFHDAENJS-RQJHMYQMSA-N
Mol Weight 188.22 g/mol
Molecular Formula C9H16O4
Exact Mass 188.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1NF01WifAg6
Name cis-2,3-Dimethyl-4-(2-isopropoxycarbonyl)butyric acid
Alternate Name(s) (2R,3S)-4-isopropoxy-2,3-dimethyl-4-oxobutanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O4
InChI InChI=1S/C9H16O4/c1-5(2)13-9(12)7(4)6(3)8(10)11/h5-7H,1-4H3,(H,10,11)/t6-,7+/m1/s1
InChIKey TUHWVAFHDAENJS-RQJHMYQMSA-N
Molecular Weight 188.223 g/mol
SMILES OC([C@@]([C@@](C(OC(C)C)=O)(C)[H])(C)[H])=O
SPLASH splash10-004i-0900000000-4b141f0808b61db7a56e
Source of Spectrum J-63-1196-0
Wiley ID 1184432