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N,N-(3-Oxapentamethylene)-N'-(3,3,3-trifluoro-1-pentafluoroethyl-2-trifluoromethylpropylidene)thiourea
SpectraBase Compound ID 1HHQky4Wtxy
InChI InChI=1S/C11H9F11N2OS/c12-8(13,11(20,21)22)6(5(9(14,15)16)10(17,18)19)23-7(26)24-1-3-25-4-2-24/h5H,1-4H2/b23-6+
InChIKey VRUUXXTUHYVNMJ-TXNBCWFRSA-N
Mol Weight 426.25 g/mol
Molecular Formula C11H9F11N2OS
Exact Mass 426.025994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7R0sIsaY6yD
Name N,N-(3-Oxapentamethylene)-N'-(3,3,3-trifluoro-1-pentafluoroethyl-2-trifluoromethylpropylidene)thiourea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H9F11N2OS
InChI InChI=1S/C11H9F11N2OS/c12-8(13,11(20,21)22)6(5(9(14,15)16)10(17,18)19)23-7(26)24-1-3-25-4-2-24/h5H,1-4H2/b23-6+
InChIKey VRUUXXTUHYVNMJ-TXNBCWFRSA-N
Molecular Weight 426.248 g/mol
SMILES C(\C(C(C(F)(F)F)C(F)(F)F)=N\C(N1CCOCC1)=S)(C(F)(F)F)(F)F
SPLASH splash10-000i-9000300000-857bafed251d688aa364
Source of Spectrum O1-33-722-2
Wiley ID 819135