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(E,7R)-3,7-dimethyl-2-octenedioic acid
SpectraBase Compound ID 4HlJAGiUvT5
InChI InChI=1S/C10H16O4/c1-7(6-9(11)12)4-3-5-8(2)10(13)14/h6,8H,3-5H2,1-2H3,(H,11,12)(H,13,14)/b7-6+/t8-/m1/s1
InChIKey VNSKHKIHRLWODC-HYDMIIDASA-N
Mol Weight 200.23 g/mol
Molecular Formula C10H16O4
Exact Mass 200.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2xTrWK1SjAa
Name (E,7R)-3,7-dimethyl-2-octenedioic acid
CAS Registry Number 87172-91-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O4
InChI InChI=1S/C10H16O4/c1-7(6-9(11)12)4-3-5-8(2)10(13)14/h6,8H,3-5H2,1-2H3,(H,11,12)(H,13,14)/b7-6+/t8-/m1/s1
InChIKey VNSKHKIHRLWODC-HYDMIIDASA-N
Molecular Weight 200.234 g/mol
SMILES OC(\C=C\(CCC[C@](C(=O)O)(C)[H])C)=O
SPLASH splash10-0914-9400000000-32ba5db5d99e1c341718
Source of Spectrum H-73-738-0
Synonyms (E,7R)-3,7-dimethyloct-2-enedioic acid
Wiley ID 1197453