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CYCLOHEXYL-METHYLPHOSPHONOFLUORIDATE
SpectraBase Compound ID BMLB0UZ3Iuj
InChI InChI=1S/C7H14FO2P/c1-11(8,9)10-7-5-3-2-4-6-7/h7H,2-6H2,1H3
InChIKey SNTRKUOVAPUGAY-UHFFFAOYSA-N
Mol Weight 180.16 g/mol
Molecular Formula C7H14FO2P
Exact Mass 180.071545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8FCli2VaMVM
Name Cyclohexylsarin
CAS Registry Number 329-99-7
Classification Chemical warfare agent
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found)
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 180.071544850 u
Formula C7H14FO2P
InChI InChI=1S/C7H14FO2P/c1-11(8,9)10-7-5-3-2-4-6-7/h7H,2-6H2,1H3
InChIKey SNTRKUOVAPUGAY-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 180.159 g/mol
Nominal Mass 180 u
Quality 954
Retention Index 1225
SMILES C1(OP(F)(=O)C)CCCCC1
SPLASH splash10-0002-9000000000-7eb2cd4edb66d214d222
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms GF O-Isopropylmethylphosphonofluoridate
Technique GC/MS
Wiley ID DD2024_000836