| SpectraBase Spectrum ID |
6vWrKpEbZrL |
| Name |
2(3H)-Naphthalenone,3-(acetyloxy)-4,4A,5,6,7,8-hexahydro-4A-methyl-, trans- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
222.125594437 u |
| Formula |
C13H18O3 |
| InChI |
InChI=1S/C13H18O3/c1-9(14)16-12-8-13(2)6-4-3-5-10(13)7-11(12)15/h7,12H,3-6,8H2,1-2H3/t12-,13+/m1/s1 |
| InChIKey |
SYILZKPKMFDWED-OLZOCXBDSA-N |
| Molecular Weight |
222.284 g/mol |
| SMILES |
C12=CC(=O)[C@@](C[C@]2(C)CCCC1)(OC(=O)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925245 |
