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Cyclohexan-2,2,3,3,4-D5-ol, 4-methyl-, (1S-trans)-
SpectraBase Compound ID IW0TAFE7Ufa
InChI InChI=1S/C7H14O/c1-6-2-4-7(8)5-3-6/h6-8H,2-5H2,1H3/t6-,7-/i2D2,4D2,6D/m1/s1
InChIKey MQWCXKGKQLNYQG-DJOUMMKASA-N
Mol Weight 119.22 g/mol
Molecular Formula C7H9D5O
Exact Mass 119.135849 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C2XklwVFCj4
Name Cyclohexan-2,2,3,3,4-D5-ol, 4-methyl-, (1S-trans)-
CAS Registry Number 73687-76-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H9D5O
InChI InChI=1S/C7H14O/c1-6-2-4-7(8)5-3-6/h6-8H,2-5H2,1H3/t6-,7-/i2D2,4D2,6D/m1/s1
InChIKey MQWCXKGKQLNYQG-DJOUMMKASA-N
Molecular Weight 119.219 g/mol
SMILES O[C@@]1(C(C([D])([D])[C@](CC1)(C)[D])([D])[D])[H]
SPLASH splash10-0bt9-9000000000-348d60a152b16bc039c3
Source of Spectrum J-45-2683-0
Synonyms (1S,4S)-2,2,3,3,4-Pentadeuterio-4-methylcyclohexanol
Wiley ID 1124895