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(2R*,4R* / 4S*)-2-Ethoxy-4-(perfluorobutyl)-1-oxa-spiro[5.5]undec-3-one
SpectraBase Compound ID 7bhdhPCOjbR
InChI InChI=1S/C16H19F9O3/c1-2-27-11-10(26)9(8-12(28-11)6-4-3-5-7-12)13(17,18)14(19,20)15(21,22)16(23,24)25/h9,11H,2-8H2,1H3/t9?,11-/m1/s1
InChIKey XIHXXGIRIQPNOF-HCCKASOXSA-N
Mol Weight 430.31 g/mol
Molecular Formula C16H19F9O3
Exact Mass 430.119048 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 40pmg77lFg
Name (2R*,4R* / 4S*)-2-Ethoxy-4-(perfluorobutyl)-1-oxa-spiro[5.5]undec-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19F9O3
InChI InChI=1S/C16H19F9O3/c1-2-27-11-10(26)9(8-12(28-11)6-4-3-5-7-12)13(17,18)14(19,20)15(21,22)16(23,24)25/h9,11H,2-8H2,1H3/t9?,11-/m1/s1
InChIKey XIHXXGIRIQPNOF-HCCKASOXSA-N
Molecular Weight 430.311 g/mol
SMILES C(C(C(F)(F)F)(F)F)(C(C1C([C@](OCC)(OC2(C1)CCCCC2)[H])=O)(F)F)(F)F
SPLASH splash10-001r-3945600000-140f804b1bc6e9cc185b
Source of Spectrum U1-2009-5828-12f/I
Wiley ID 1697378