| SpectraBase Spectrum ID |
3Y1GxJhV6O |
| Name |
3-Butylneothujol and 3-Butylneoisothujol and 3-Butylthujol |
| CAS Registry Number |
88904-61-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H26O |
| InChI |
InChI=1S/C14H26O/c1-5-6-7-14(15)9-13(10(2)3)8-12(13)11(14)4/h10-12,15H,5-9H2,1-4H3/t11-,12?,13+,14-/m1/s1 |
| InChIKey |
WTNWLTJBRUJXJU-NIWMIYJQSA-N |
| Molecular Weight |
210.361 g/mol |
| SMILES |
O[C@@]1(C[C@]2(C([C@]1(C)[H])C2)C(C)C)CCCC |
| SPLASH |
splash10-052g-9200000000-641109289bb33165eecd |
| Source of Spectrum |
J-49-1543-0 |
| Synonyms |
(1S,3R,4R)-3-butyl-1-isopropyl-4-methylbicyclo[3.1.0]hexan-3-ol |
| Wiley ID |
1209854 |
