| SpectraBase Spectrum ID |
9C3f7E3ndVa |
| Name |
1(2H)-Pentalenone, 3-ethenylhexahydro-2,3,6A-trimethyl-, (2.alpha.,3.alpha.,3A.alpha.,6A.alpha.)-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
192.151415263 u |
| Formula |
C13H20O |
| InChI |
InChI=1S/C13H20O/c1-5-12(3)9(2)11(14)13(4)8-6-7-10(12)13/h5,9-10H,1,6-8H2,2-4H3/t9-,10+,12+,13+/m0/s1 |
| InChIKey |
DLIQWSZEDYHNOF-XKAARJIMSA-N |
| Molecular Weight |
192.302 g/mol |
| SMILES |
[C@]12(C([C@](C)([C@]([C@]2(CCC1)[H])(C=C)C)[H])=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937864 |
