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1,3-Benzodioxole-4-carboxylic acid, 5-[2-[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]ethyl]-
SpectraBase Compound ID IUOPYusoAxJ
InChI InChI=1S/C21H23NO6/c1-22(2)8-7-15-10-18-17(26-11-27-18)9-14(15)4-3-13-5-6-16-20(28-12-25-16)19(13)21(23)24/h5-6,9-10H,3-4,7-8,11-12H2,1-2H3,(H,23,24)
InChIKey CQQLUNAPRNBNFF-UHFFFAOYSA-N
Mol Weight 385.42 g/mol
Molecular Formula C21H23NO6
Exact Mass 385.152537 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EgEGMsdvLN1
Name 1,3-Benzodioxole-4-carboxylic acid, 5-[2-[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]ethyl]-
Alternate Name(s) 2-(2'-((N,N-dimethyl)aminoethyl)-4',5'-methylenedioxyphenyl)-1-(2''-carboxy-3'',4''-methylenedioxyphenyl)-ethane 5-(2-{6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl}ethyl)-1,3-benzodioxole-4-carboxylic acid
CAS Registry Number 62421-40-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23NO6
InChI InChI=1S/C21H23NO6/c1-22(2)8-7-15-10-18-17(26-11-27-18)9-14(15)4-3-13-5-6-16-20(28-12-25-16)19(13)21(23)24/h5-6,9-10H,3-4,7-8,11-12H2,1-2H3,(H,23,24)
InChIKey CQQLUNAPRNBNFF-UHFFFAOYSA-N
Molecular Weight 385.416 g/mol
SMILES OC(c1c2c(OCO2)ccc1CCc1c(cc2c(c1)OCO2)CCN(C)C)=O
SPLASH splash10-0a4i-9000000000-29b457b82b1a108cc062
Source of Spectrum F-42-6025-10
Wiley ID 1362220