| SpectraBase Spectrum ID |
CkEIfucw5Af |
| Name |
.alpha.-acetylthio-6-nitroacetoveratrone |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H13NO6S |
| InChI |
InChI=1S/C12H13NO6S/c1-7(14)20-6-10(15)8-4-11(18-2)12(19-3)5-9(8)13(16)17/h4-5H,6H2,1-3H3 |
| InChIKey |
WRCHYYPONNGGOQ-UHFFFAOYSA-N |
| Instrument Name |
JEOL JMS-SX 102 A or Finnigan Mat GCQ |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002_1097-0231(20000630)14_12_1077 |
| Molecular Weight |
299.297 g/mol |
| Reported Formula |
C12H13O6NS |
| SMILES |
c1(c(cc(c(c1)OC)OC)[N+](=O)[O-])C(CSC(C)=O)=O |
| SPLASH |
splash10-03di-0290000000-4cf38d7175556d6148d1 |
| Source of Spectrum |
RCM-14-1077-3 |
| Wiley ID |
1836262 |
