| SpectraBase Spectrum ID |
ACKlZUJQrYG |
| Name |
Simazine |
| CAS Registry Number |
122-34-9 |
| Classification |
Herbicide |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
201.078123106 u |
| Formula |
C7H12ClN5 |
| InChI |
InChI=1S/C7H12ClN5/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H2,9,10,11,12,13) |
| InChIKey |
ODCWYMIRDDJXKW-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
201.661 g/mol |
| SMILES |
CCNc1nc(Cl)nc(n1)NCC |
| SPLASH |
splash10-0v4r-9830000000-5f6685701d14809a056e |
| 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. |
| Sample Preparation Procedure |
Detected: G P-I U |
| 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_1326 |
