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4-[4-Nitro-3-(1-phenyl-1H-tetrazol-5-ylsulfanyl)-phenyl]-morpholine
SpectraBase Compound ID IdPkkYTCPSI
InChI InChI=1S/C17H16N6O3S/c24-23(25)15-7-6-14(21-8-10-26-11-9-21)12-16(15)27-17-18-19-20-22(17)13-4-2-1-3-5-13/h1-7,12H,8-11H2
InChIKey XDVYAMJVFQJEQR-UHFFFAOYSA-N
Mol Weight 384.41 g/mol
Molecular Formula C17H16N6O3S
Exact Mass 384.10046 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzoW48yXFQS
Name 4-[4-Nitro-3-(1-phenyl-1H-tetrazol-5-ylsulfanyl)-phenyl]-morpholine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16N6O3S
InChI InChI=1S/C17H16N6O3S/c24-23(25)15-7-6-14(21-8-10-26-11-9-21)12-16(15)27-17-18-19-20-22(17)13-4-2-1-3-5-13/h1-7,12H,8-11H2
InChIKey XDVYAMJVFQJEQR-UHFFFAOYSA-N
Molecular Weight 384.414 g/mol
SMILES c1([n](nnn1)-c1ccccc1)Sc1c(N(=O)=O)ccc(N2CCOCC2)c1
SPLASH splash10-0400-6913000000-2dcf920fb51bc5b3daa9
Synonyms 4-(4-Nitro-3-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]phenyl)morpholine 4-[4-nitro-3-(1-phenyltetrazol-5-yl)sulfanyl-phenyl]morpholine 4-[4-nitro-3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]phenyl]morpholine 4-[4-nitro-3-[(1-phenyl-5-tetrazolyl)thio]phenyl]morpholine 4-[4-nitro-3-[(1-phenyltetrazol-5-yl)thio]phenyl]morpholine
Wiley ID 1464593