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[3R,4S]-3-Hydroxy-1-(3'-nitrophenyl)-4-deuterio-1-pentanone

View entire compound with spectra: 1 MS (GC)

[3R,4S]-3-Hydroxy-1-(3'-nitrophenyl)-4-deuterio-1-pentanone
SpectraBase Compound ID DycgvhV1OQx
InChI InChI=1S/C17H17NO4/c19-16(10-9-13-5-2-1-3-6-13)12-17(20)14-7-4-8-15(11-14)18(21)22/h1-8,11,16,19H,9-10,12H2/t16-/m0/s1/i10D/t10-,16-
InChIKey OBFFVSNNYCXEFT-SJDBHAQXSA-N
Mol Weight 300.33 g/mol
Molecular Formula C17H162DNO4
Exact Mass 300.122035 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DZROn923Gud
Name [3R,4S]-3-Hydroxy-1-(3'-nitrophenyl)-4-deuterio-1-pentanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16DNO4
InChI InChI=1S/C17H17NO4/c19-16(10-9-13-5-2-1-3-6-13)12-17(20)14-7-4-8-15(11-14)18(21)22/h1-8,11,16,19H,9-10,12H2/t16-/m0/s1/i10D/t10-,16-
InChIKey OBFFVSNNYCXEFT-SJDBHAQXSA-N
Molecular Weight 300.332 g/mol
SMILES O[C@](CC(c1cc(N(=O)=O)ccc1)=O)([C@](Cc1ccccc1)([2D])[H])[H]
SPLASH splash10-0udl-7953000000-62c2f743519fe01e402c
Source of Spectrum C-121-4175-anti-3q
Wiley ID 1702432