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9H-1,3-Dioxolo[4,5-h][2]benzopyran-9-one, 7-[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]-6,7-dihydro-, (.+-.)-
SpectraBase Compound ID 8lusIT0ZpuF
InChI InChI=1S/C21H21NO6/c1-22(2)6-5-12-7-17-18(26-10-25-17)9-14(12)16-8-13-3-4-15-20(27-11-24-15)19(13)21(23)28-16/h3-4,7,9,16H,5-6,8,10-11H2,1-2H3
InChIKey CVFMLLFLGTVLGJ-UHFFFAOYSA-N
Mol Weight 383.4 g/mol
Molecular Formula C21H21NO6
Exact Mass 383.136887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1tlO6NolZss
Name 9H-1,3-Dioxolo[4,5-h][2]benzopyran-9-one, 7-[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]-6,7-dihydro-, (.+-.)-
CAS Registry Number 63950-18-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21NO6
InChI InChI=1S/C21H21NO6/c1-22(2)6-5-12-7-17-18(26-10-25-17)9-14(12)16-8-13-3-4-15-20(27-11-24-15)19(13)21(23)28-16/h3-4,7,9,16H,5-6,8,10-11H2,1-2H3
InChIKey CVFMLLFLGTVLGJ-UHFFFAOYSA-N
Molecular Weight 383.400 g/mol
SMILES C1(c2c(ccc3c2OCO3)CC(O1)c1cc2OCOc2cc1CCN(C)C)=O
SPLASH splash10-0a4i-9000000000-a27fde130d86560d2fd8
Source of Spectrum F-42-6025-1
Synonyms (+-)-Peshawarine (.+-.)-Peshawarine 7-{6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl}-6,7-dihydro-9H-[1,3]dioxolo[4,5-h][2]benzopyran-9-one 7-[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]-6,7-dihydro-[1,3]dioxolo[4,5-h][2]benzopyran-9-one 7-[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]-6,7-dihydro-[1,3]dioxolo[4,5-h]isochromen-9-one
Wiley ID 1361081