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6-Methyl-4-[3'-(4"-<3"'-chlorophenyl>-1"-piperazinyl)propyl]-1H-(1,4)-benzoxazin-3-one
SpectraBase Compound ID 9niPGYCjffd
InChI InChI=1S/C22H26ClN3O2/c1-17-6-7-21-20(14-17)26(22(27)16-28-21)9-3-8-24-10-12-25(13-11-24)19-5-2-4-18(23)15-19/h2,4-7,14-15H,3,8-13,16H2,1H3
InChIKey VNRVTIJAGYGFFQ-UHFFFAOYSA-N
Mol Weight 399.92 g/mol
Molecular Formula C22H26ClN3O2
Exact Mass 399.171355 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BNAFKC7e8f9
Name 6-Methyl-4-[3'-(4"-<3"'-chlorophenyl>-1"-piperazinyl)propyl]-1H-(1,4)-benzoxazin-3-one
Alternate Name(s) 4-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-6-methyl-1,4-benzoxazin-3-one 4-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-6-methyl-1,4-benzoxazin-3-one
Comments Less than 3 mono-isotopic peaks
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Formula C22H26ClN3O2
InChI InChI=1S/C22H26ClN3O2/c1-17-6-7-21-20(14-17)26(22(27)16-28-21)9-3-8-24-10-12-25(13-11-24)19-5-2-4-18(23)15-19/h2,4-7,14-15H,3,8-13,16H2,1H3
InChIKey VNRVTIJAGYGFFQ-UHFFFAOYSA-N
Molecular Weight 399.922 g/mol
SMILES c12N(C(COc2ccc(c1)C)=O)CCCN1CCN(CC1)c1cc(Cl)ccc1
SPLASH splash10-0a4i-0092200000-a1d4374f4e230639573e
Source of Spectrum Y-37-188-4
Wiley ID 762688