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7-( 5'-Methyl-2'-hydroxybenzyl)-5,6,7,8,9,10-hexahydro-2H,20H-thioxantheno[2,3-b]-(1,4-dioxa-7,10,13-triaza)cyclopentadecene-3,11,20(4H,12H)-trione

View entire compound with spectra: 1 MS (GC)

7-( 5'-Methyl-2'-hydroxybenzyl)-5,6,7,8,9,10-hexahydro-2H,20H-thioxantheno[2,3-b]-(1,4-dioxa-7,10,13-triaza)cyclopentadecene-3,11,20(4H,12H)-trione
SpectraBase Compound ID 1udyIDcW2WP
InChI InChI=1S/C29H29N3O6S/c1-18-6-7-22(33)19(12-18)15-32-10-8-30-27(34)16-37-23-13-21-26(14-24(23)38-17-28(35)31-9-11-32)39-25-5-3-2-4-20(25)29(21)36/h6-14,33H,2-5,15-17H2,1H3,(H,30,34)(H,31,35)/b10-8-,11-9-
InChIKey IGGTUFSOQYYGSC-WGEIWTTOSA-N
Mol Weight 547.63 g/mol
Molecular Formula C29H29N3O6S
Exact Mass 547.177707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E0AoWevtEle
Name 7-( 5'-Methyl-2'-hydroxybenzyl)-5,6,7,8,9,10-hexahydro-2H,20H-thioxantheno[2,3-b]-(1,4-dioxa-7,10,13-triaza)cyclopentadecene-3,11,20(4H,12H)-trione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H29N3O6S
InChI InChI=1S/C29H29N3O6S/c1-18-6-7-22(33)19(12-18)15-32-10-8-30-27(34)16-37-23-13-21-26(14-24(23)38-17-28(35)31-9-11-32)39-25-5-3-2-4-20(25)29(21)36/h6-14,33H,2-5,15-17H2,1H3,(H,30,34)(H,31,35)/b10-8-,11-9-
InChIKey IGGTUFSOQYYGSC-WGEIWTTOSA-N
Molecular Weight 547.626 g/mol
SMILES N1\C=C/N(Cc2c(ccc(c2)C)O)\C=C/NC(COc2c(cc3C(C=4CCCCC4Sc3c2)=O)OCC1=O)=O
SPLASH splash10-0a4i-9261000000-3da1d4f3acb9e14fab23
Source of Spectrum H-90-1382-10
Wiley ID 1590775