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4-[5-(3-Benzo[1,3]dioxol-5-yl-propyl)-benzo[d]isoxazol-3-yl]-benzoic acid
SpectraBase Compound ID 7N0bkIuP0xm
InChI InChI=1S/C24H19NO5/c26-24(27)18-8-6-17(7-9-18)23-19-12-15(4-10-20(19)30-25-23)2-1-3-16-5-11-21-22(13-16)29-14-28-21/h4-13H,1-3,14H2,(H,26,27)
InChIKey KWACIIHHMGDWNA-UHFFFAOYSA-N
Mol Weight 401.42 g/mol
Molecular Formula C24H19NO5
Exact Mass 401.126323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KxddlmIhiTB
Name 4-[5-(3-Benzo[1,3]dioxol-5-yl-propyl)-benzo[d]isoxazol-3-yl]-benzoic acid
Alternate Name(s) 4-[5-(3-Benzo[1,3]dioxol-5-ylpropenyl)benzo[d]isoxazol-3-yl]benzoic acid 4-{5-[3-(1,3-benzodioxol-5-yl)propyl]-1,2-benzisoxazol-3-yl}benzoic acid
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Formula C24H19NO5
InChI InChI=1S/C24H19NO5/c26-24(27)18-8-6-17(7-9-18)23-19-12-15(4-10-20(19)30-25-23)2-1-3-16-5-11-21-22(13-16)29-14-28-21/h4-13H,1-3,14H2,(H,26,27)
InChIKey KWACIIHHMGDWNA-UHFFFAOYSA-N
Molecular Weight 401.418 g/mol
SMILES OC(c1ccc(-c2noc3ccc(cc23)CCCc2cc3OCOc3cc2)cc1)=O
SPLASH splash10-0v09-9200000000-5750a96fe5b710bb010b
Source of Spectrum QC-24-1461-26
Wiley ID 1584236