| SpectraBase Spectrum ID |
GmRrsRPuwzX |
| Name |
1-(4-Chlorophenyl) 7-(2-(phenylthio)ethyl) heptanedioate |
| Appearance |
Colorless oil |
| Carrier Gas |
Argon |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
406.100558091 u |
| Formula |
C21H23ClO4S |
| GC Column |
HP-5 (30 m x 0.32 mm, film thickness 0.25 micrometer) |
| InChI |
InChI=1S/C21H23ClO4S/c22-17-11-13-18(14-12-17)26-21(24)10-6-2-5-9-20(23)25-15-16-27-19-7-3-1-4-8-19/h1,3-4,7-8,11-14H,2,5-6,9-10,15-16H2 |
| InChIKey |
SCUQQOGAWVZNCU-UHFFFAOYSA-N |
| Instrument Name |
Agilent HP-7890A-AMD 402 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202211939 |
| Molecular Weight |
406.924 g/mol |
| Quality |
197 |
| SMILES |
C1(Cl)=CC=C(C=C1)OC(CCCCCC(=O)OCCSC1=CC=CC=C1)=O |
| SPLASH |
splash10-000i-2911000000-d68a689771661cf03062 |
| Source of Spectrum |
ACI-61-SM27-18 (DOI: 10.1002/anie.202211939) |
| Wiley ID |
1899532 |
