| SpectraBase Spectrum ID |
2ZfAZ74GcXj |
| Name |
Methyl 4-isothiocyanatobenzoate |
| Appearance |
Off-white solid |
| Carrier Gas |
(20 mL/min) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
193.019749641 u |
| Formula |
C9H7NO2S |
| GC Column |
Agilent 19091s-433 HP-SMS (30 m x 0.250 mm, film thickness 0.25 micrometer) |
| GC Oven Program |
Oven temp 280oC |
| InChI |
InChI=1S/C9H7NO2S/c1-12-9(11)7-2-4-8(5-3-7)10-6-13/h2-5H,1H3 |
| InChIKey |
WIZODHILGBTPPA-UHFFFAOYSA-N |
| Inlet Type |
Split (20:1) |
| Instrument Name |
Agilent Technologies 5975-7820A GC |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201705240 |
| Molecular Weight |
193.220 g/mol |
| Quality |
218 |
| SMILES |
C1=CC(=CC=C1C(=O)OC)N=C=S |
| SPLASH |
splash10-03dl-0900000000-87afd17c004309353683 |
| Source of Spectrum |
QE-24-SM4-4-3 (DOI: 10.1002/chem.201705240) |
| Wiley ID |
1900233 |
