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Cryptopine
SpectraBase Compound ID 17wlzIOkRuv
InChI InChI=1S/C21H23NO5/c1-22-7-6-14-9-19(24-2)20(25-3)10-15(14)17(23)8-13-4-5-18-21(16(13)11-22)27-12-26-18/h4-5,9-10H,6-8,11-12H2,1-3H3
InChIKey XPOJSWHIKCNLEQ-UHFFFAOYSA-N
Mol Weight 369.42 g/mol
Molecular Formula C21H23NO5
Exact Mass 369.157623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JITKUn9Olw8
Name Cryptopine
CAS Registry Number 482-74-6
Classification Opium alkaloid
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 369.157622840 u
Formula C21H23NO5
InChI InChI=1S/C21H23NO5/c1-22-7-6-14-9-19(24-2)20(25-3)10-15(14)17(23)8-13-4-5-18-21(16(13)11-22)27-12-26-18/h4-5,9-10H,6-8,11-12H2,1-3H3
InChIKey XPOJSWHIKCNLEQ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 369.417 g/mol
Nominal Mass 369 u
Quality 940
Retention Index 2992
SMILES C12=C3C(=CC=C2CC(C=2C(=CC(=C(C2)OC)OC)CCN(C1)C)=O)OCO3
SPLASH splash10-0002-1910000000-d0bc8c539b87b492e99d
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 2,3-Dimethoxy-13-methyl-12,13,14,15-tetrahydro[1,3]-benzodioxolo[4,5-c]benzo[g]azecin-5(6H)-\r one
Technique GC/MS
Wiley ID DD2024_013642