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2-Oxa-12-azatricyclo[7.3.1.0(3,8)]trideca-3,5,7,10-tetraene-10-carboxylic acid, 1,11-dimethyl-, 1,3-benzodioxol-5-ylmethyl ester
SpectraBase Compound ID DOc87Wi3uxv
InChI InChI=1S/C22H21NO5/c1-13-20(16-10-22(2,23-13)28-17-6-4-3-5-15(16)17)21(24)25-11-14-7-8-18-19(9-14)27-12-26-18/h3-9,16,23H,10-12H2,1-2H3
InChIKey ZQVPPHHDCGMHHF-UHFFFAOYSA-N
Mol Weight 379.41 g/mol
Molecular Formula C22H21NO5
Exact Mass 379.141973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LsDi1kN3SZx
Name 2-Oxa-12-azatricyclo[7.3.1.0(3,8)]trideca-3,5,7,10-tetraene-10-carboxylic acid, 1,11-dimethyl-, 1,3-benzodioxol-5-ylmethyl ester
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Formula C22H21NO5
InChI InChI=1S/C22H21NO5/c1-13-20(16-10-22(2,23-13)28-17-6-4-3-5-15(16)17)21(24)25-11-14-7-8-18-19(9-14)27-12-26-18/h3-9,16,23H,10-12H2,1-2H3
InChIKey ZQVPPHHDCGMHHF-UHFFFAOYSA-N
Molecular Weight 379.412 g/mol
SMILES N1C(=C(C2CC1(Oc1c2cccc1)C)C(OCc1cc2c(cc1)OCO2)=O)C
SPLASH splash10-000i-4981000000-16b36ce51d2a2c053049
Source of Spectrum IY-2-5044-5
Synonyms 2H-1,3-benzodioxol-5-ylmethyl 9,11-dimethyl-8-oxa-10-azatricyclo[7.3.1.0(2,7)]trideca-2,4,6,11-tetraene-12-carboxylate
Wiley ID 1658428