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PINACOLYL-METHYLPHOSPHONOFLUORIDATE;SOMAN
SpectraBase Compound ID INkknktG7ZT
InChI InChI=1S/C7H16FO2P/c1-6(7(2,3)4)10-11(5,8)9/h6H,1-5H3
InChIKey GRXKLBBBQUKJJZ-UHFFFAOYSA-N
Mol Weight 182.18 g/mol
Molecular Formula C7H16FO2P
Exact Mass 182.087195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HLPrJvIGTwt
Name Soman
CAS Registry Number 96-64-0
Classification Chemical warfare agent
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 182.087194914 u
Formula C7H16FO2P
InChI InChI=1S/C7H16FO2P/c1-6(7(2,3)4)10-11(5,8)9/h6H,1-5H3
InChIKey GRXKLBBBQUKJJZ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 182.175 g/mol
Nominal Mass 182 u
Quality 890
Retention Index 1196
SMILES C(OP(F)(=O)C)(C(C)(C)C)C
SPLASH splash10-00pm-9100000000-6b0eb6ebdc76e0dc28bb
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms GD (3S)-3-(Fluoro-methyl-phosphoryl)oxy-2,2-dimethylbutane
Technique GC/MS
Wiley ID DD2024_003904