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3-isothiocyanato-4-(methoxymethyl)-6-phenylmethoxy-9H-pyrido[3,4-b]indole
SpectraBase Compound ID BCN1DV7XYda
InChI InChI=1S/C21H17N3O2S/c1-25-12-17-20-16-9-15(26-11-14-5-3-2-4-6-14)7-8-18(16)24-19(20)10-22-21(17)23-13-27/h2-10,24H,11-12H2,1H3
InChIKey SCOCPYQHQIYRTR-UHFFFAOYSA-N
Mol Weight 375.45 g/mol
Molecular Formula C21H17N3O2S
Exact Mass 375.104148 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID dXO2WHk6JC
Name 3-isothiocyanato-4-(methoxymethyl)-6-phenylmethoxy-9H-pyrido[3,4-b]indole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17N3O2S
InChI InChI=1S/C21H17N3O2S/c1-25-12-17-20-16-9-15(26-11-14-5-3-2-4-6-14)7-8-18(16)24-19(20)10-22-21(17)23-13-27/h2-10,24H,11-12H2,1H3
InChIKey SCOCPYQHQIYRTR-UHFFFAOYSA-N
Molecular Weight 375.446 g/mol
SMILES [nH]1c2cnc(c(c2c2c1ccc(c2)OCc1ccccc1)COC)N=C=S
SPLASH splash10-0ugi-0094000000-1f262cf650ae93045ddb
Source of Spectrum F2-41-2551-43
Synonyms 6-Benzoxy-3-isothiocyanato-4-(methoxymethyl)-9H-$b-carboline 6-Benzyloxy-3-isothiocyanato-4-(methoxymethyl)-9H-pyrido[3,4-b]indole
Wiley ID 1599715