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

View entire compound with spectra: 1 MS (GC)

[3S,4S]-3-Hydroxy-1-(3'-nitrophenyl)-4-deuterio-1-pentanone
SpectraBase Compound ID 6aekJyuqxFM
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-/m1/s1/i10D/t10-,16+/m0
InChIKey OBFFVSNNYCXEFT-YLLOMTRZSA-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 9zXbLLaNXXO
Name [3S,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-/m1/s1/i10D/t10-,16+/m0
InChIKey OBFFVSNNYCXEFT-YLLOMTRZSA-N
Molecular Weight 300.332 g/mol
SMILES O[C@@](CC(c1cc(N(=O)=O)ccc1)=O)([C@](Cc1ccccc1)([2D])[H])[H]
SPLASH splash10-0udo-9632000000-e7e6401d98760b0727ab
Source of Spectrum C-121-4175-syn-3q
Wiley ID 1702433