| SpectraBase Spectrum ID |
4D1Yl0cVhBZ |
| Name |
1-Ethyl 7-(2-(phenylthio)ethyl) heptanedioate |
| Appearance |
Colorless oil |
| Carrier Gas |
Argon |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
324.139530423 u |
| Formula |
C17H24O4S |
| GC Column |
HP-5 (30 m x 0.32 mm, film thickness 0.25 micrometer) |
| InChI |
InChI=1S/C17H24O4S/c1-2-20-16(18)11-7-4-8-12-17(19)21-13-14-22-15-9-5-3-6-10-15/h3,5-6,9-10H,2,4,7-8,11-14H2,1H3 |
| InChIKey |
JPMCHPIHRQJXKF-UHFFFAOYSA-N |
| Instrument Name |
Agilent HP-7890A-AMD 402 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202211939 |
| Molecular Weight |
324.435 g/mol |
| Quality |
177 |
| Reported Formula |
C17H24O4S |
| SMILES |
C(C)OC(CCCCCC(=O)OCCSC1=CC=CC=C1)=O |
| SPLASH |
splash10-000i-2900000000-c44e96df300de02546f1 |
| Source of Spectrum |
ACI-61-SM23-11 (DOI: 10.1002/anie.202211939) |
| Wiley ID |
1899527 |
