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diisopropyl-[3-(4-nitrophenyl)-4-(phenylthio)isoxazol-5-yl]amine
SpectraBase Compound ID Efdpoy1ctqV
InChI InChI=1S/C21H23N3O3S/c1-14(2)23(15(3)4)21-20(28-18-8-6-5-7-9-18)19(22-27-21)16-10-12-17(13-11-16)24(25)26/h5-15H,1-4H3
InChIKey NHAMTNYIFDFSCS-UHFFFAOYSA-N
Mol Weight 397.49 g/mol
Molecular Formula C21H23N3O3S
Exact Mass 397.146013 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JAJK2speDfS
Name 5-ISOXAZOLAMINE, N,N-BIS(1-METHYLETHYL)-3-(4-NITROPHENYL)-4-(PHENYLTHIO)-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H23N3O3S
InChI InChI=1S/C21H23N3O3S/c1-14(2)23(15(3)4)21-20(28-18-8-6-5-7-9-18)19(22-27-21)16-10-12-17(13-11-16)24(25)26/h5-15H,1-4H3
InChIKey NHAMTNYIFDFSCS-UHFFFAOYSA-N
Instrument Name 311A
Molecular Weight 397.1455
SMILES c1(c(noc1N(C(C)C)C(C)C)-c1ccc(N(=O)=O)cc1)Sc1ccccc1
SPLASH splash10-0fdn-2922000000-42c4ffa2a71b1046dd66
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany