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Methyl-trans-3,4-dihydroxycyclohexanecarboxylate
SpectraBase Compound ID 4aXkDS5ZVie
InChI InChI=1S/C8H14O4/c1-12-8(11)5-2-3-6(9)7(10)4-5/h5-7,9-10H,2-4H2,1H3/t5-,6?,7+/m1/s1
InChIKey SHNNPNZMDZPVLC-UYMSWOSGSA-N
Mol Weight 174.2 g/mol
Molecular Formula C8H14O4
Exact Mass 174.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BD7T5k4cAVQ
Name Methyl-trans-3,4-dihydroxycyclohexanecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O4
InChI InChI=1S/C8H14O4/c1-12-8(11)5-2-3-6(9)7(10)4-5/h5-7,9-10H,2-4H2,1H3/t5-,6?,7+/m1/s1
InChIKey SHNNPNZMDZPVLC-UYMSWOSGSA-N
Molecular Weight 174.196 g/mol
SMILES O[C@]1(C[C@@](CCC1O)(C(=O)OC)[H])[H]
SPLASH splash10-0006-9200000000-a8352e05592f0e70bdd5
Source of Spectrum KO-6-451-5
Synonyms Methyl (1R,3S)-3,4-dihydroxycyclohexanecarboxylate
Wiley ID 1170327