| SpectraBase Spectrum ID |
5UIxaoPExdi |
| Name |
2H-Cyclopenta[A]pentalen-2-one, 1,3B,4,5,6,6A,7,7A-octahydro-3,4,4,6A-tetramethyl-, [3bs-(3B.alpha.,6A.alpha.,7A.beta.)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
218.167065327 u |
| Formula |
C15H22O |
| InChI |
InChI=1S/C15H22O/c1-9-11(16)7-10-8-15(4)6-5-14(2,3)13(15)12(9)10/h10,13H,5-8H2,1-4H3/t10-,13-,15-/m1/s1 |
| InChIKey |
ONCFCBOEJBNQIT-WDBKCZKBSA-N |
| Molecular Weight |
218.340 g/mol |
| SMILES |
C12=C(C(=O)C[C@@]2(C[C@@]2([C@]1(C(CC2)(C)C)[H])C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.970289 |
![2H-Cyclopenta[a]pentalen-2-one, 1,3b,4,5,6,6a,7,7a-octahydro-3,4,4,6a-tetramethyl-, [3bS-(3b.alpha.,6a.alpha.,7a.beta.)]-](/api/spectrum/5UIxaoPExdi/structure.png?h=300&w=458 "2H-Cyclopenta[a]pentalen-2-one, 1,3b,4,5,6,6a,7,7a-octahydro-3,4,4,6a-tetramethyl-, [3bS-(3b.alpha.,6a.alpha.,7a.beta.)]-")
