| SpectraBase Spectrum ID |
5kXnWA14Bm3 |
| Name |
(4R,4as,8as)-8A-Methyl-4-phenyl-4A,5,6,7,8,8A-hexahydro-4H-chromene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
228.151415263 u |
| Formula |
C16H20O |
| InChI |
InChI=1S/C16H20O/c1-16-11-6-5-9-15(16)14(10-12-17-16)13-7-3-2-4-8-13/h2-4,7-8,10,12,14-15H,5-6,9,11H2,1H3/t14-,15-,16-/m0/s1 |
| InChIKey |
BXKXPSGSGREULE-JYJNAYRXSA-N |
| Molecular Weight |
228.335 g/mol |
| SMILES |
[C@@]12([C@](OC=C[C@]2(C2=CC=CC=C2)[H])(C)CCCC1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.891989 |
