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(RS)-3-Fluoro-3-[(RS)-hydroxy(4-nitrophenyl)methyl]-1-methylindolin-2-one
SpectraBase Compound ID 8tAx4uf6CHe
InChI InChI=1S/C16H13FN2O4/c1-18-13-5-3-2-4-12(13)16(17,15(18)21)14(20)10-6-8-11(9-7-10)19(22)23/h2-9,14,20H,1H3
InChIKey MHSCLHSWIQFTSB-UHFFFAOYSA-N
Mol Weight 316.29 g/mol
Molecular Formula C16H13FN2O4
Exact Mass 316.085935 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DLB4ywMe71z
Name (RS)-3-Fluoro-3-[(RS)-hydroxy(4-nitrophenyl)methyl]-1-methylindolin-2-one
Appearance Pale yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.085935066 u
Formula C16H13FN2O4
InChI InChI=1S/C16H13FN2O4/c1-18-13-5-3-2-4-12(13)16(17,15(18)21)14(20)10-6-8-11(9-7-10)19(22)23/h2-9,14,20H,1H3
InChIKey MHSCLHSWIQFTSB-UHFFFAOYSA-N
Instrument Name Shimadzu QP-5000
Ionization Type EI
Literature Reference DOI 10.24820/ark.5550190.p011.804
Molecular Weight 316.288 g/mol
Quality 76
SMILES OC(C1(C=2C=CC=CC2N(C1=O)C)F)C1=CC=C(C=C1)[N+]([O-])=O
SPLASH splash10-014i-1910000000-13296782800395152749
Sample Comments dr = 30:70
Source of Spectrum ARK-2023-28-3g (DOI: 10.24820/ark.5550190.p011.804)
Wiley ID 1911229