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4(1H)-Pyrimidinone, 5-bromo-2-[[4-(2-naphthalenyloxy)butyl]thio]-
SpectraBase Compound ID 5S1eVVnK0HJ
InChI InChI=1S/C18H17BrN2O2S/c19-16-12-20-18(21-17(16)22)24-10-4-3-9-23-15-8-7-13-5-1-2-6-14(13)11-15/h1-2,5-8,11-12H,3-4,9-10H2,(H,20,21,22)
InChIKey APVSWNQDEYSPMJ-UHFFFAOYSA-N
Mol Weight 405.31 g/mol
Molecular Formula C18H17BrN2O2S
Exact Mass 404.019412 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Sar9kHK1A4
Name 4(1H)-Pyrimidinone, 5-bromo-2-[[4-(2-naphthalenyloxy)butyl]thio]-
Alternate Name(s) 5-Bromo-2-S-(2-naphthoxytetramethylene)thiouracil 5-Bromo-2-{[4-(2-naphthyloxy)butyl]sulfanyl}-4(1H)-pyrimidinone
CAS Registry Number 118365-73-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17BrN2O2S
InChI InChI=1S/C18H17BrN2O2S/c19-16-12-20-18(21-17(16)22)24-10-4-3-9-23-15-8-7-13-5-1-2-6-14(13)11-15/h1-2,5-8,11-12H,3-4,9-10H2,(H,20,21,22)
InChIKey APVSWNQDEYSPMJ-UHFFFAOYSA-N
Molecular Weight 405.310 g/mol
SMILES N1C=C(C(N=C1SCCCCOc1cc2ccccc2cc1)=O)Br
SPLASH splash10-03di-0890100000-911708b637ce443b8e31
Source of Spectrum O-23-484-14
Wiley ID 1371097