| SpectraBase Spectrum ID |
9uKRh2jhrKa |
| Name |
1(2H)-Pentalenone, 3a-(3-butynyl)hexahydro-3,3-dimethyl-, (3aR-cis)- |
| CAS Registry Number |
121469-22-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H20O |
| InChI |
InChI=1S/C14H20O/c1-4-5-8-14-9-6-7-11(14)12(15)10-13(14,2)3/h1,11H,5-10H2,2-3H3/t11-,14+/m1/s1 |
| InChIKey |
ZHOYNLMFZPBPDN-RISCZKNCSA-N |
| Molecular Weight |
204.313 g/mol |
| SMILES |
[C@@]12(C(CC([C@]2(CCC1)[H])=O)(C)C)CCC#C |
| SPLASH |
splash10-052f-9100000000-d802198d980733fa985d |
| Source of Spectrum |
F-45-4948-11 |
| Synonyms |
(3aR,6aS)-3,3-dimethyl-3a-(but-3-ynyl)-3,3a,4,5,6,6a-hexahydropentalen-1(2H)-one
(3aR,6aS)-3a-(3-butyl-1-1)-3,3-dimethyl-3,3a,4,5,6,6a,hexahydropentalen-1(2H)-one
(3aR,6aS)-3a-(3-butynyl)-3,3-dimethylhexahydro-1(2H)-pentalenone |
| Wiley ID |
1202340 |
