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1,1,1,3,3,3-hexafluoro-2-[2,2,6-trimethyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazin-8-yl]-2-propanol
SpectraBase Compound ID KlgmhdV9XE8
InChI InChI=1S/C16H13F12NO2/c1-6-4-7(11(30,13(17,18)19)14(20,21)22)9-8(5-6)12(15(23,24)25,16(26,27)28)31-10(2,3)29-9/h4-5,29-30H,1-3H3
InChIKey HQBAGNRRRIAUKO-UHFFFAOYSA-N
Mol Weight 479.27 g/mol
Molecular Formula C16H13F12NO2
Exact Mass 479.075467 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F9DOPQSd2Q0
Name 1,1,1,3,3,3-hexafluoro-2-[2,2,6-trimethyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazin-8-yl]-2-propanol
Alternate Name(s) 1,1,1,3,3,3-hexafluoro-2-[2,2,6-trimethyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazin-8-yl]propan-2-ol 1,1,1,3,3,3-hexakis(fluoranyl)-2-[2,2,6-trimethyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazin-8-yl]propan-2-ol
CAS Registry Number 80360-42-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13F12NO2
InChI InChI=1S/C16H13F12NO2/c1-6-4-7(11(30,13(17,18)19)14(20,21)22)9-8(5-6)12(15(23,24)25,16(26,27)28)31-10(2,3)29-9/h4-5,29-30H,1-3H3
InChIKey HQBAGNRRRIAUKO-UHFFFAOYSA-N
Molecular Weight 479.266 g/mol
SMILES OC(c1cc(cc2c1NC(OC2(C(F)(F)F)C(F)(F)F)(C)C)C)(C(F)(F)F)C(F)(F)F
SPLASH splash10-03di-0000900000-8d9c3e872930b1eaf272
Source of Spectrum J-47-1024-0
Wiley ID 1394944