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6-Benzyloxy-4-methoxymethyl-.beta.-carboline-3-isothiocarbamate
SpectraBase Compound ID KWCJdQUB7ri
InChI InChI=1S/C22H21N3O3S/c1-26-13-17-20-16-10-15(28-12-14-6-4-3-5-7-14)8-9-18(16)24-19(20)11-23-21(17)25-22(29)27-2/h3-11,24H,12-13H2,1-2H3,(H,23,25,29)
InChIKey YHNCUZMFBAMPKE-UHFFFAOYSA-N
Mol Weight 407.49 g/mol
Molecular Formula C22H21N3O3S
Exact Mass 407.130363 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lpv8PKjboAR
Name 6-Benzyloxy-4-methoxymethyl-.beta.-carboline-3-isothiocarbamate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21N3O3S
InChI InChI=1S/C22H21N3O3S/c1-26-13-17-20-16-10-15(28-12-14-6-4-3-5-7-14)8-9-18(16)24-19(20)11-23-21(17)25-22(29)27-2/h3-11,24H,12-13H2,1-2H3,(H,23,25,29)
InChIKey YHNCUZMFBAMPKE-UHFFFAOYSA-N
Molecular Weight 407.488 g/mol
SMILES [nH]1c2c(c3c(c(ncc13)NC(=S)OC)COC)cc(cc2)OCc1ccccc1
SPLASH splash10-0ugi-0094000000-1b457c02a7dbd1989e98
Source of Spectrum F2-41-2551-44
Synonyms N-[4-(methoxymethyl)-6-phenylmethoxy-9H-pyrido[3,4-b]indol-3-yl]carbamothioic acid O-methyl ester O-methyl N-[6-benzyloxy-4-(methoxymethyl)-9H-pyrido[3,4-b]indol-3-yl]carbamothioate O-methyl N-[4-(methoxymethyl)-6-phenylmethoxy-9H-pyrido[3,4-b]indol-3-yl]carbamothioate
Wiley ID 1599714