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2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-1,3-benzoxazole
SpectraBase Compound ID 4BOQnBtBHjo
InChI InChI=1S/C21H25N3O3S/c1-21(2,3)16-8-10-17(11-9-16)28(25,26)24-14-12-23(13-15-24)20-22-18-6-4-5-7-19(18)27-20/h4-11H,12-15H2,1-3H3
InChIKey NIRRBOUULIAGFK-UHFFFAOYSA-N
Mol Weight 399.51 g/mol
Molecular Formula C21H25N3O3S
Exact Mass 399.161663 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7fZWAh598Oc
Name 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-1,3-benzoxazole
Alternate Name(s) 2-[4-(4-tert-butylphenyl)sulfonylpiperazino]-1,3-benzoxazole Benzooxazole, 2-[4-(4-tert-butylbenzenesulfonyl)piperazin-1-yl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25N3O3S
InChI InChI=1S/C21H25N3O3S/c1-21(2,3)16-8-10-17(11-9-16)28(25,26)24-14-12-23(13-15-24)20-22-18-6-4-5-7-19(18)27-20/h4-11H,12-15H2,1-3H3
InChIKey NIRRBOUULIAGFK-UHFFFAOYSA-N
Molecular Weight 399.509 g/mol
SMILES c12ccccc2nc(o1)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(C)(C)C
SPLASH splash10-0zfr-9761000000-6184e048e044c2c8ec2c
Wiley ID 1436567