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(2S)-2-allyl-2-methyl-butanedioic acid
SpectraBase Compound ID 5teAmezVBHG
InChI InChI=1S/C8H12O4/c1-3-4-8(2,7(11)12)5-6(9)10/h3H,1,4-5H2,2H3,(H,9,10)(H,11,12)/t8-/m0/s1
InChIKey FNZBRJIFXCWRFS-QMMMGPOBSA-N
Mol Weight 172.18 g/mol
Molecular Formula C8H12O4
Exact Mass 172.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B7IaiXrlkmB
Name (2S)-2-allyl-2-methyl-butanedioic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O4
InChI InChI=1S/C8H12O4/c1-3-4-8(2,7(11)12)5-6(9)10/h3H,1,4-5H2,2H3,(H,9,10)(H,11,12)/t8-/m0/s1
InChIKey FNZBRJIFXCWRFS-QMMMGPOBSA-N
Molecular Weight 172.180 g/mol
SMILES OC([C@](CC(=O)O)(CC=C)C)=O
SPLASH splash10-02vi-8900000000-32c41f7b4ae3500cb39e
Source of Spectrum KC-0-2102-11
Synonyms (2S)-2-allyl-2-methyl-succinic acid (2S)-2-methyl-2-prop-2-enyl-butanedioic acid
Wiley ID 822977