| SpectraBase Spectrum ID |
5HQZTSCWSu |
| Name |
Methyl 3-((2-benzamidophenyl)thio)propanoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
315.092914582 u |
| Formula |
C17H17NO3S |
| GC Oven Program |
Oven temp 290 oC or 320 oC |
| InChI |
InChI=1S/C17H17NO3S/c1-21-16(19)11-12-22-15-10-6-5-9-14(15)18-17(20)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,18,20) |
| InChIKey |
IKAFQYATBBITRY-UHFFFAOYSA-N |
| Instrument Name |
Agilent Technologies 7890A-5975C VL/5975 inert GC |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201609393 |
| Quality |
169 |
| Reported Formula |
C17H17NO3S |
| SMILES |
N(C1=CC=CC=C1SCCC(OC)=O)C(=O)C=1C=CC=CC1 |
| SPLASH |
splash10-054k-3901000000-1a1045599f9ecc9c2c02 |
| Source of Spectrum |
ACI-56-SM50-6n (DOI: 10.1002/anie.201609393) |
| Thin-Layer Chromatography |
0.72 (Pentane/EtOAc, 9:1) |
| Wiley ID |
1892818 |
