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Dimethyl ester of (5,6,7,8,14,15-Hexahydro-3,4-dimethoxybenzo[e][1,3]dioxolo[4,5-k][3]benzazecin-7-yl)phosphonic acid
SpectraBase Compound ID 9KNSXgM1nQS
InChI InChI=1S/C22H28NO7P/c1-25-18-8-7-14-5-6-15-9-19-20(30-13-29-19)10-16(15)11-21(31(24,27-3)28-4)23-12-17(14)22(18)26-2/h7-10,21,23H,5-6,11-13H2,1-4H3
InChIKey MJQMGTAQYURTPD-UHFFFAOYSA-N
Mol Weight 449.44 g/mol
Molecular Formula C22H28NO7P
Exact Mass 449.160339 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KXicVOxTQi3
Name Dimethyl ester of (5,6,7,8,14,15-Hexahydro-3,4-dimethoxybenzo[e][1,3]dioxolo[4,5-k][3]benzazecin-7-yl)phosphonic acid
Alternate Name(s) Dimethyl 3,4-dimethoxy-5,6,7,8,14,15-hexahydrobenzo[c][1,3]benzodioxolo[5,6-g]azecin-7-ylphosphonate
CAS Registry Number 76466-94-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28NO7P
InChI InChI=1S/C22H28NO7P/c1-25-18-8-7-14-5-6-15-9-19-20(30-13-29-19)10-16(15)11-21(31(24,27-3)28-4)23-12-17(14)22(18)26-2/h7-10,21,23H,5-6,11-13H2,1-4H3
InChIKey MJQMGTAQYURTPD-UHFFFAOYSA-N
Molecular Weight 449.440 g/mol
SMILES N1Cc2c(CCc3c(CC1P(=O)(OC)OC)cc1c(c3)OCO1)ccc(c2OC)OC
SPLASH splash10-000i-0902000000-cb4665be4b7b8d1155fb
Source of Spectrum J-46-1382-0
Wiley ID 1387423