| SpectraBase Spectrum ID |
KCmViEID2Gl |
| Name |
Sigmodal |
| CAS Registry Number |
1216-40-6 |
| Classification |
Hypnotic |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
316.042255412 u |
| Formula |
C12H17BrN2O3 |
| InChI |
InChI=1S/C12H17BrN2O3/c1-4-5-7(2)12(6-8(3)13)9(16)14-11(18)15-10(12)17/h7H,3-6H2,1-2H3,(H2,14,15,16,17,18) |
| InChIKey |
ZGVCLZRQOUEZHG-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
317.183 g/mol |
| SMILES |
C1(NC(C(C(N1)=O)(C(CCC)C)CC(Br)=C)=O)=O |
| SPLASH |
splash10-016r-7910000000-82ec554e53bd42370eaa |
| 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: P G 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_965 |
