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Benzoic acid, 4-[[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]acetyl]amino]-, ethyl ester
SpectraBase Compound ID JDS0IpvbW1b
InChI InChI=1S/C23H27N3O5/c1-2-29-23(28)18-4-6-19(7-5-18)24-22(27)15-26-11-9-25(10-12-26)14-17-3-8-20-21(13-17)31-16-30-20/h3-8,13H,2,9-12,14-16H2,1H3,(H,24,27)
InChIKey XRYSFICYLRQLEJ-UHFFFAOYSA-N
Mol Weight 425.49 g/mol
Molecular Formula C23H27N3O5
Exact Mass 425.195071 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2saCYBlfWuq
Name Benzoic acid, 4-[[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]acetyl]amino]-, ethyl ester
Alternate Name(s) 4-[[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-oxoethyl]amino]benzoic acid ethyl ester Ethyl 4-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl]amino]benzoate Ethyl 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethanoylamino]benzoate
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Formula C23H27N3O5
InChI InChI=1S/C23H27N3O5/c1-2-29-23(28)18-4-6-19(7-5-18)24-22(27)15-26-11-9-25(10-12-26)14-17-3-8-20-21(13-17)31-16-30-20/h3-8,13H,2,9-12,14-16H2,1H3,(H,24,27)
InChIKey XRYSFICYLRQLEJ-UHFFFAOYSA-N
Molecular Weight 425.485 g/mol
SMILES N(C(CN1CCN(CC1)Cc1ccc2OCOc2c1)=O)c1ccc(cc1)C(OCC)=O
SPLASH splash10-001r-4960000000-a7c451c2f4dd39c81efe
Source of Spectrum IY-1-4669-5
Wiley ID 1654678