SpectraBase Spectrum ID |
5TkMj4f3VOP |
Name |
Dantrolene |
CAS Registry Number |
7261-97-4 |
Classification |
Muscle relaxant |
Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
314.065119433 u |
Formula |
C14H10N4O5 |
InChI |
InChI=1S/C14H10N4O5/c19-13-8-17(14(20)16-13)15-7-11-5-6-12(23-11)9-1-3-10(4-2-9)18(21)22/h1-7H,8H2,(H,16,19,20)/b15-7+ |
InChIKey |
OZOMQRBLCMDCEG-VIZOYTHASA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
314.257 g/mol |
SMILES |
c1(-c2ccc(o2)\C=N\N2CC(NC2=O)=O)ccc(cc1)N(=O)=O |
SPLASH |
splash10-03di-7940000000-98c7a84ace25fbd9bca6 |
Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
Technique |
GC/MS |
Wiley ID |
MMPW6e_2033 |