| SpectraBase Spectrum ID |
IPAWePtKdUF |
| Name |
4-[(4-Bromophenoxy)methyl]-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[B]thien-2-yl)benzamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
550.128962418 u |
| Formula |
C29H31BrN2O2S |
| InChI |
InChI=1S/C29H31BrN2O2S/c30-23-15-17-24(18-16-23)34-20-21-11-13-22(14-12-21)28(33)32-29-26(19-31)25-9-7-5-3-1-2-4-6-8-10-27(25)35-29/h11-18H,1-10,20H2,(H,32,33) |
| InChIKey |
YGZABQPANUEDSV-UHFFFAOYSA-N |
| Molecular Weight |
551.543 g/mol |
| SMILES |
N(C1=C(C=2CCCCCCCCCCC2S1)C#N)C(C=1C=CC(=CC1)COC=1C=CC(=CC1)Br)=O |
![4-[(4-bromophenoxy)methyl]-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thien-2-yl)benzamide](/api/spectrum/IPAWePtKdUF/structure.png?h=300&w=458 "4-[(4-bromophenoxy)methyl]-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thien-2-yl)benzamide")
