For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl)phenyl]methyl (E)-hex-2-enoate
SpectraBase Compound ID J62BWuV0SyJ
InChI InChI=1S/C25H19F21O2/c1-2-3-4-5-15(47)48-12-14-8-6-13(7-9-14)10-11-16(26,27)17(28,29)18(30,31)19(32,33)20(34,35)21(36,37)22(38,39)23(40,41)24(42,43)25(44,45)46/h4-9H,2-3,10-12H2,1H3/b5-4+
InChIKey KVMARRJODPVANJ-SNAWJCMRSA-N
Mol Weight 750.39 g/mol
Molecular Formula C25H19F21O2
Exact Mass 750.104971 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2Rl0BYKw64
Name [4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl)phenyl]methyl (E)-hex-2-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H19F21O2
InChI InChI=1S/C25H19F21O2/c1-2-3-4-5-15(47)48-12-14-8-6-13(7-9-14)10-11-16(26,27)17(28,29)18(30,31)19(32,33)20(34,35)21(36,37)22(38,39)23(40,41)24(42,43)25(44,45)46/h4-9H,2-3,10-12H2,1H3/b5-4+
InChIKey KVMARRJODPVANJ-SNAWJCMRSA-N
Molecular Weight 750.391 g/mol
SMILES C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(CCc1ccc(cc1)COC(\C=C\CCC)=O)(F)F)(F)F)(F)F)(F)F)(F)F
SPLASH splash10-004r-5900004000-f2d7a7b1f2edb07bac6e
Source of Spectrum KC-57-5251-532
Synonyms [4-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosakis(fluoranyl)dodecyl]phenyl]methyl (E)-hex-2-enoate (E)-2-hexenoic acid [4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heneicosafluorododecyl)phenyl]methyl ester
Wiley ID 1624586