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(E)-1-(1-Adamantyl)-4,4-difluoro-3-(1-hydroxycyclopropyl)-2-buten-1-one
SpectraBase Compound ID ExrhhwmSyrU
InChI InChI=1S/C17H22F2O2/c18-15(19)13(17(21)1-2-17)6-14(20)16-7-10-3-11(8-16)5-12(4-10)9-16/h6,10-12,15,21H,1-5,7-9H2/b13-6-/t10-,11+,12-,16-
InChIKey CXKIDLDZUKYQCR-GTCGWTQQSA-N
Mol Weight 296.36 g/mol
Molecular Formula C17H22F2O2
Exact Mass 296.158786 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4UukgTCIaa1
Name (E)-1-(1-Adamantyl)-4,4-difluoro-3-(1-hydroxycyclopropyl)-2-buten-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22F2O2
InChI InChI=1S/C17H22F2O2/c18-15(19)13(17(21)1-2-17)6-14(20)16-7-10-3-11(8-16)5-12(4-10)9-16/h6,10-12,15,21H,1-5,7-9H2/b13-6-/t10-,11+,12-,16-
InChIKey CXKIDLDZUKYQCR-GTCGWTQQSA-N
Molecular Weight 296.358 g/mol
SMILES OC1(\C(=C/C(C23C[C@]4(C[C@@](C3)(C[C@@](C2)(C4)[H])[H])[H])=O)C(F)F)CC1
SPLASH splash10-00ko-9340000000-ebbbd68ea55dec3f3f0b
Source of Spectrum K1-2004-3152-27
Synonyms (E)-1-(1-adamantyl)-4,4-bis(fluoranyl)-3-(1-oxidanylcyclopropyl)but-2-en-1-one (E)-1-(1-adamantyl)-4,4-difluoro-3-(1-hydroxycyclopropyl)but-2-en-1-one
Wiley ID 1561255