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4-methylbenzene-3,5,6-d3-1,2-diol
SpectraBase Compound ID Fs6wi8FL4cW
InChI InChI=1S/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3/i2D,3D,4D
InChIKey ZBCATMYQYDCTIZ-NRUYWUNFSA-N
Mol Weight 127.16 g/mol
Molecular Formula C7H5D3O2
Exact Mass 127.07126 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H3KLKXwKGkT
Name 4-methylbenzene-3,5,6-d3-1,2-diol
Appearance Light orange solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 127.071259733 u
Formula C7H5D3O2
InChI InChI=1S/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3/i2D,3D,4D
InChIKey ZBCATMYQYDCTIZ-NRUYWUNFSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.202202423
Molecular Weight 127.157 g/mol
Quality 1000
SMILES OC1=C(C(=C(C(=C1[D])C)[D])[D])O
SPLASH splash10-004i-7900000000-d4cd91033e395dc9b86c
Source of Spectrum ACI-61-SM156-2af (DOI: 10.1002/anie.202202423)
Wiley ID 1899408