| SpectraBase Spectrum ID |
8ISdkUy0h9c |
| Name |
(6-Nitro-2H-1,3-benzodioxol-5-yl)methanol |
| CAS Registry Number |
15341-08-9 |
| Classification |
Chemical |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
197.032422324 u |
| Formula |
C8H7NO5 |
| InChI |
InChI=1S/C8H7NO5/c10-3-5-1-7-8(14-4-13-7)2-6(5)9(11)12/h1-2,10H,3-4H2 |
| InChIKey |
XSKQKDTZQNFCCB-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
197.146 g/mol |
| Nominal Mass |
197 u |
| Quality |
996 |
| Retention Index |
1781 |
| SMILES |
OCC1=C(C=C2C(=C1)OCO2)[N+](=O)[O-] |
| SPLASH |
splash10-0072-9700000000-3e8bd193b5a995f73589 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(6-Nitrobenzo[d][1,3]dioxol-5-yl)methanol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_024050 |
