| SpectraBase Spectrum ID |
2VAsjjS4Azr |
| Name |
(E)-1-(1-Adamantyl)-4,4,4-trifluoro-3-(1-hydroxycyclopropyl)-2-buten-1-one |
| Alternate Name(s) |
(E)-1-(1-adamantyl)-4,4,4-trifluoro-3-(1-hydroxycyclopropyl)but-2-en-1-one
(E)-1-(1-adamantyl)-4,4,4-tris(fluoranyl)-3-(1-oxidanylcyclopropyl)but-2-en-1-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H21F3O2 |
| InChI |
InChI=1S/C17H21F3O2/c18-17(19,20)13(16(22)1-2-16)6-14(21)15-7-10-3-11(8-15)5-12(4-10)9-15/h6,10-12,22H,1-5,7-9H2/b13-6+/t10-,11+,12-,15- |
| InChIKey |
CMQFKNNDQMDYMJ-PDHVZDAJSA-N |
| Molecular Weight |
314.348 g/mol |
| SMILES |
OC1(\C(=C/C(C23C[C@]4(C[C@@](C3)(C[C@@](C2)(C4)[H])[H])[H])=O)C(F)(F)F)CC1 |
| SPLASH |
splash10-005o-9510000000-ca0dfffc2572036dd8bb |
| Source of Spectrum |
K1-2004-3152-27 |
| Wiley ID |
1561254 |
