| SpectraBase Spectrum ID |
EKSimv6dy1g |
| Name |
1,4:5,8-Dimethanonaphthalen-2(1H)-one, 3-butyloctahydro-, (1.alpha.,3.beta.,4.alpha.,4a.alpha.,5.beta.,8.beta.,8a.alpha.)- |
| Alternate Name(s) |
(1S,2R,3S,5S,6R,7R,8R)-5-butyltetracyclo[6.2.1.1(3,6).0(2,7)]dodecan-4-one
5-,,inside''-butyl-endo,exo-tetracyclo[6.2.1.1(3,6).0(2,7)]dodecan-4-one
5-,,inside''-Butyl-endo,exo-tetracyclo[6.2.1.1(3,6).0(2,7)]dodecan-4-one |
| CAS Registry Number |
80119-12-6 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H24O |
| InChI |
InChI=1S/C16H24O/c1-2-3-4-11-12-8-13(16(11)17)15-10-6-5-9(7-10)14(12)15/h9-15H,2-8H2,1H3/t9-,10+,11+,12+,13+,14-,15+/m1/s1 |
| InChIKey |
KCEJRWZHIUBWAV-QLMDPUNJSA-N |
| Molecular Weight |
232.367 g/mol |
| SMILES |
[C@@]12([C@@]([C@@]3([H])C[C@@]2(C([C@]3(CCCC)[H])=O)[H])([C@@]2([H])C[C@@]1(CC2)[H])[H])[H] |
| SPLASH |
splash10-014i-0090000000-2718e547b476f1c50c96 |
| Source of Spectrum |
K-114-3347-0 |
| Wiley ID |
1234381 |
