| SpectraBase Spectrum ID |
5HVDTypnCgk |
| Name |
Trans-(3-R*,8A-S*)-3,8A-dihydro-3-tert.-butyl-8A-methylazulen-1-(2-H)-one;major_diastereomer |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
216.151415263 u |
| Formula |
C15H20O |
| InChI |
InChI=1S/C15H20O/c1-14(2,3)12-10-13(16)15(4)9-7-5-6-8-11(12)15/h5-9,12H,10H2,1-4H3/t12-,15-/m0/s1 |
| InChIKey |
JPIORTSYSFGKPA-WFASDCNBSA-N |
| Molecular Weight |
216.324 g/mol |
| SMILES |
C1(=O)C[C@](C(C)(C)C)(C2=CC=CC=C[C@]12C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911712 |
