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2H-Naphtho[1,2-b]thiopyran-3-carboxamide, 3,4,5,6-tetrahydro-4-(4-methoxyphenyl)-
SpectraBase Compound ID 3NNYk4qb8Ps
InChI InChI=1S/C21H21NO2S/c1-24-15-9-6-14(7-10-15)19-17-11-8-13-4-2-3-5-16(13)20(17)25-12-18(19)21(22)23/h2-7,9-10,18-19H,8,11-12H2,1H3,(H2,22,23)
InChIKey NTJKAIBGRHDFFA-UHFFFAOYSA-N
Mol Weight 351.46 g/mol
Molecular Formula C21H21NO2S
Exact Mass 351.1293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cf95mpNyakr
Name 2H-Naphtho[1,2-b]thiopyran-3-carboxamide, 3,4,5,6-tetrahydro-4-(4-methoxyphenyl)-
CAS Registry Number 67254-67-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21NO2S
InChI InChI=1S/C21H21NO2S/c1-24-15-9-6-14(7-10-15)19-17-11-8-13-4-2-3-5-16(13)20(17)25-12-18(19)21(22)23/h2-7,9-10,18-19H,8,11-12H2,1H3,(H2,22,23)
InChIKey NTJKAIBGRHDFFA-UHFFFAOYSA-N
Molecular Weight 351.464 g/mol
SMILES NC(C1C(C2=C(SC1)c1ccccc1CC2)c1ccc(cc1)OC)=O
SPLASH splash10-0ufr-0098000000-afcde5bfda8083c97fdd
Source of Spectrum J-43-4150-0
Synonyms 3-Carbamoyl-4-(p-methoxyphenyl)-5,6-dihydrobenzo[H]-thiochroman 4-(4-methoxyphenyl)-3,4,5,6-tetrahydro-2H-naphtho[1,2-b]thiopyran-3-carboxamide
Wiley ID 1342660