| SpectraBase Spectrum ID |
ABHqNlkho5t |
| Name |
Hexanamide, 2-[3,4-bis(1,1-dimethylpropyl)phenoxy]-N-[4-[[4-(dimethylamino)-2-(phenylsulfonyl)phenyl]amino]phenyl]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
697.391328433 u |
| Formula |
C42H55N3O4S |
| InChI |
InChI=1S/C42H55N3O4S/c1-10-13-19-38(49-33-25-26-35(41(4,5)11-2)36(29-33)42(6,7)12-3)40(46)44-31-22-20-30(21-23-31)43-37-27-24-32(45(8)9)28-39(37)50(47,48)34-17-15-14-16-18-34/h14-18,20-29,38,43H,10-13,19H2,1-9H3,(H,44,46) |
| InChIKey |
INOJTYOGCLWUOG-UHFFFAOYSA-N |
| SMILES |
C=1(C=CC=CC1)S(C1=CC(=CC=C1NC1=CC=C(NC(C(CCCC)OC2=CC=C(C(=C2)C(C)(C)CC)C(C)(C)CC)=O)C=C1)N(C)C)(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.813461 |
![Hexanamide, 2-[3,4-bis(1,1-dimethylpropyl)phenoxy]-N-[4-[[4-(dimethylamino)-2-(phenylsulfonyl)phenyl]amino]phenyl]-](/api/spectrum/ABHqNlkho5t/structure.png?h=300&w=458 "Hexanamide, 2-[3,4-bis(1,1-dimethylpropyl)phenoxy]-N-[4-[[4-(dimethylamino)-2-(phenylsulfonyl)phenyl]amino]phenyl]-")
