For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Sigmodal
SpectraBase Compound ID 94HFsjUHG5d
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
Mol Weight 317.18 g/mol
Molecular Formula C12H17BrN2O3
Exact Mass 316.042255 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

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