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4-(phenyl-d5)butan-4,4-d2-1-ol
SpectraBase Compound ID EI5bUECM2BG
InChI InChI=1S/C10H14O/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2/i1D,2D,3D,6D,7D,8D2
InChIKey LDZLXQFDGRCELX-PAWXDWMOSA-N
Mol Weight 157.26 g/mol
Molecular Formula C10H7D7O
Exact Mass 157.148402 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6JmcokBKPfj
Name 4-(phenyl-d5)butan-4,4-d2-1-ol
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 157.148402291 u
Formula C10H7D7O
InChI InChI=1S/C10H14O/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2/i1D,2D,3D,6D,7D,8D2
InChIKey LDZLXQFDGRCELX-PAWXDWMOSA-N
Instrument Name Finnigan MAT95Q or Finnigan MAT90
Ionization Type EI
Literature Reference DOI 10.1002/anie.202203807
Molecular Weight 157.264 g/mol
Quality 221
Reported Formula C10H7D7O
SMILES OCCCC(C=1C(=C(C(=C(C1[D])[D])[D])[D])[D])([D])[D]
SPLASH splash10-06r2-6900000000-aa5b3fcbcdd48b0f6a46
Source of Spectrum ACI-61-SM126-10au (DOI: 10.1002/anie.202203807)
Wiley ID 1897790