| SpectraBase Spectrum ID |
2pkNGrRsCk2 |
| Name |
N-(1,3-benzodioxol-5-ylmethyl)benzenecarbothioamide |
| Appearance |
Yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
271.066699835 u |
| Formula |
C15H13NO2S |
| InChI |
InChI=1S/C15H13NO2S/c19-15(12-4-2-1-3-5-12)16-9-11-6-7-13-14(8-11)18-10-17-13/h1-8H,9-10H2,(H,16,19) |
| InChIKey |
NGCYQSBZCJVAPC-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu QP 1000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201504247 |
| Molecular Weight |
271.334 g/mol |
| Quality |
124 |
| Reported Formula |
C15H13NO2S |
| SMILES |
N(CC=1C=CC2=C(OCO2)C1)C(=S)C1=CC=CC=C1 |
| SPLASH |
splash10-0079-2950000000-3446b9b5a30d9076bada |
| Source of Spectrum |
QE-21-SM27-26 (DOI: 10.1002/chem.201504247) |
| Wiley ID |
1907533 |
