| SpectraBase Spectrum ID |
E8azmcnYQlv |
| Name |
{1-[Chloro(p-tolylsulfinyl)methyl]-3,3-bis(3-phenylpropoxymethyl)cyclobutyl}-N,N-dimethylacetamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
623.283607835 u |
| Formula |
C36H46ClNO4S |
| InChI |
InChI=1S/C36H46ClNO4S/c1-29-18-20-32(21-19-29)43(40)34(37)36(24-33(39)38(2)3)25-35(26-36,27-41-22-10-16-30-12-6-4-7-13-30)28-42-23-11-17-31-14-8-5-9-15-31/h4-9,12-15,18-21,34H,10-11,16-17,22-28H2,1-3H3 |
| InChIKey |
IAKYUKOGSKJLJB-UHFFFAOYSA-N |
| Molecular Weight |
624.280 g/mol |
| SMILES |
C1(C(S(C2=CC=C(C=C2)C)=O)Cl)(CC(N(C)C)=O)CC(C1)(COCCCC1=CC=CC=C1)COCCCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.893724 |
![{1-[Chloro(p-tolylsulfinyl)methyl]-3,3-bis(3-phenylpropoxymethyl)cyclobutyl}-N,N-dimethylacetamide](/api/spectrum/E8azmcnYQlv/structure.png?h=300&w=458 "{1-[Chloro(p-tolylsulfinyl)methyl]-3,3-bis(3-phenylpropoxymethyl)cyclobutyl}-N,N-dimethylacetamide")
