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4-(4-Methoxy-3-methoxymethyl-phenyl)-1,3-diphenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one
SpectraBase Compound ID 5xaggxJUp96
InChI InChI=1S/C27H25N3O3S/c1-32-16-20-15-19(13-14-22(20)33-2)26-24-25(18-9-5-3-6-10-18)29-30(21-11-7-4-8-12-21)27(24)28-23(31)17-34-26/h3-15,26H,16-17H2,1-2H3,(H,28,31)
InChIKey BKRSCWITVJJBRB-UHFFFAOYSA-N
Mol Weight 471.58 g/mol
Molecular Formula C27H25N3O3S
Exact Mass 471.161663 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3w1VZNgeDZo
Name 4-(4-Methoxy-3-methoxymethyl-phenyl)-1,3-diphenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H25N3O3S
InChI InChI=1S/C27H25N3O3S/c1-32-16-20-15-19(13-14-22(20)33-2)26-24-25(18-9-5-3-6-10-18)29-30(21-11-7-4-8-12-21)27(24)28-23(31)17-34-26/h3-15,26H,16-17H2,1-2H3,(H,28,31)
InChIKey BKRSCWITVJJBRB-UHFFFAOYSA-N
Molecular Weight 471.575 g/mol
SMILES N1C(CSC(c2c1[n](nc2-c1ccccc1)-c1ccccc1)c1cc(COC)c(cc1)OC)=O
SPLASH splash10-00di-3659500000-413d70d8a5f16042c923
Synonyms 4-[4-methoxy-3-(methoxymethyl)phenyl]-1,3-diphenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Wiley ID 1442657