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1-(((1R,2S)-2-methoxycyclohexyl)methyl)-3,5-dimethylbenzene
SpectraBase Compound ID IxW719dnIwd
InChI InChI=1S/C16H24O/c1-12-8-13(2)10-14(9-12)11-15-6-4-5-7-16(15)17-3/h8-10,15-16H,4-7,11H2,1-3H3/t15-,16+/m1/s1
InChIKey AYGPFPHMHRICBE-CVEARBPZSA-N
Mol Weight 232.37 g/mol
Molecular Formula C16H24O
Exact Mass 232.182715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DWxCXQYmqbw
Name 1-(((1R,2S)-2-methoxycyclohexyl)methyl)-3,5-dimethylbenzene
Appearance Colorless oil
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 232.182715392 u
Formula C16H24O
InChI InChI=1S/C16H24O/c1-12-8-13(2)10-14(9-12)11-15-6-4-5-7-16(15)17-3/h8-10,15-16H,4-7,11H2,1-3H3/t15-,16+/m1/s1
InChIKey AYGPFPHMHRICBE-CVEARBPZSA-N
Instrument Name Finnigan MAT95Q or Finnigan MAT90
Ionization Type EI
Literature Reference DOI 10.1002/anie.202203807
Molecular Weight 232.367 g/mol
Quality 168
Reported Formula C16H24O
SMILES CO[C@@]1([C@](CCCC1)(CC1=CC(=CC(=C1)C)C)[H])[H]
SPLASH splash10-0600-0900000000-fa98902091ca494bf966
Source of Spectrum ACI-61-SM83-13d (DOI: 10.1002/anie.202203807)
Wiley ID 1897823