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(4S,5S)-2-deuterio-5-(4-methoxyphenyl)-5-methyl-4-(p-tolylsulfonyl)-4H-oxazole
SpectraBase Compound ID LFeckOG0icQ
InChI InChI=1S/C18H19NO4S/c1-13-4-10-16(11-5-13)24(20,21)17-18(2,23-12-19-17)14-6-8-15(22-3)9-7-14/h4-12,17H,1-3H3/t17-,18-/m0/s1/i12D
InChIKey VKFZKPPGKWUPGM-UEIQAGNDSA-N
Mol Weight 346.42 g/mol
Molecular Formula C18H18DNO4S
Exact Mass 346.109756 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6t6j6NHIzAd
Name (4S,5S)-2-deuterio-5-(4-methoxyphenyl)-5-methyl-4-(p-tolylsulfonyl)-4H-oxazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.109756012 u
Formula C18H18DNO4S
InChI InChI=1S/C18H19NO4S/c1-13-4-10-16(11-5-13)24(20,21)17-18(2,23-12-19-17)14-6-8-15(22-3)9-7-14/h4-12,17H,1-3H3/t17-,18-/m0/s1/i12D
InChIKey VKFZKPPGKWUPGM-UEIQAGNDSA-N
Instrument Name Hewlett-Packard 5971
Ionization Type EI
Literature Reference DOI 10.1002/chem.201504362
Molecular Weight 346.419 g/mol
Quality 800
SMILES C1(=CC=C(C=C1)OC)[C@]1([C@@](N=C(O1)[D])(S(C1=CC=C(C=C1)C)(=O)=O)[H])C
SPLASH splash10-03di-3900000000-199ff07167b726c91f96
Source of Spectrum QE-21-SM13-d-4d (DOI: 10.1002/chem.201504362)
Wiley ID 1909308