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4-(2'-Isocyanatoethyl)-2,2-bis(trifluoromethyl)-1,3-oxathiolan-5-one
SpectraBase Compound ID DvzOeVj3PEM
InChI InChI=1S/C8H5F6NO3S/c9-7(10,11)6(8(12,13)14)18-5(17)4(19-6)1-2-15-3-16/h4H,1-2H2
InChIKey XTSTXGUCTGPAGR-UHFFFAOYSA-N
Mol Weight 309.18 g/mol
Molecular Formula C8H5F6NO3S
Exact Mass 308.989433 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3vWFhWC4YYi
Name 4-(2'-Isocyanatoethyl)-2,2-bis(trifluoromethyl)-1,3-oxathiolan-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H5F6NO3S
InChI InChI=1S/C8H5F6NO3S/c9-7(10,11)6(8(12,13)14)18-5(17)4(19-6)1-2-15-3-16/h4H,1-2H2
InChIKey XTSTXGUCTGPAGR-UHFFFAOYSA-N
Molecular Weight 309.182 g/mol
SMILES C1(OC(=O)C(S1)CCN=C=O)(C(F)(F)F)C(F)(F)F
SPLASH splash10-00yi-9270000000-ce9a82755a06608ff917
Source of Spectrum SB-136-769-14
Synonyms 4-(2-isocyanatoethyl)-2,2-bis(trifluoromethyl)-1,3-oxathiolan-5-one
Wiley ID 1612209