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3-(Ethoxycarbonyl)-2-hydroxy-3-methyl-5-hexenoic acid

View entire compound with spectra: 3 MS (GC)

3-(Ethoxycarbonyl)-2-hydroxy-3-methyl-5-hexenoic acid
SpectraBase Compound ID 5jHTifl9rdk
InChI InChI=1S/C10H16O5/c1-4-6-10(3,7(11)8(12)13)9(14)15-5-2/h4,7,11H,1,5-6H2,2-3H3,(H,12,13)
InChIKey IQPGJBYLJSCWQE-UHFFFAOYSA-N
Mol Weight 216.23 g/mol
Molecular Formula C10H16O5
Exact Mass 216.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FrpWOiVIamj
Name 3-(Ethoxycarbonyl)-2-hydroxy-3-methyl-5-hexenoic acid
CAS Registry Number 111832-94-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O5
InChI InChI=1S/C10H16O5/c1-4-6-10(3,7(11)8(12)13)9(14)15-5-2/h4,7,11H,1,5-6H2,2-3H3,(H,12,13)
InChIKey IQPGJBYLJSCWQE-UHFFFAOYSA-N
Molecular Weight 216.233 g/mol
SMILES OC(C(O)=O)C(CC=C)(C(=O)OCC)C
SPLASH splash10-002f-9400000000-1b164b476e609bc013c7
Synonyms 2-Allyl-3-hydroxy-2-methylsuccinic acid, 1-ethyl ester 3-carbethoxy-2-hydroxy-3-methyl-hex-5-enoic acid 3-Ethoxycarbonyl-2-hydroxy-3-methyl-hex-5-enoic acid 3-Ethoxycarbonyl-3-methyl-2-oxidanyl-hex-5-enoic acid 3-Ethoxycarbonyl-2-hydroxy-3-methyl-5-hexenoic acid
Wiley ID 1484862