| SpectraBase Spectrum ID |
7Oh6vmCOT2Z |
| Name |
4-(Methylthio)benzyl pentanoate |
| Appearance |
Light-yellow oil |
| Carrier Gas |
Argon |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
238.102750992 u |
| Formula |
C13H18O2S |
| GC Column |
HP-5 (30 m x 0.32 mm, film thickness 0.25 micrometer) |
| InChI |
InChI=1S/C13H18O2S/c1-3-4-5-13(14)15-10-11-6-8-12(16-2)9-7-11/h6-9H,3-5,10H2,1-2H3 |
| InChIKey |
RBIIYPQHYDYIIZ-UHFFFAOYSA-N |
| Instrument Name |
Agilent HP-7890A-AMD 402 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202211939 |
| Molecular Weight |
238.345 g/mol |
| Quality |
195 |
| Reported Formula |
C13H18O2S |
| SMILES |
CSC1=CC=C(C=C1)COC(CCCC)=O |
| SPLASH |
splash10-000i-1920000000-8e072e8307a6752058ba |
| Source of Spectrum |
ACI-61-SM39-45 (DOI: 10.1002/anie.202211939) |
| Wiley ID |
1899560 |
