| SpectraBase Spectrum ID |
H90EXTRoUzM |
| Name |
8A-(3',3'-Dimethylbut-1'-ynyl)-3,4,4A,5,6,8A-hexahydro-6-methoxy-3,3,6-trimethylnaphthalen-1(2H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
302.224580204 u |
| Formula |
C20H30O2 |
| InChI |
InChI=1S/C20H30O2/c1-17(2,3)8-10-20-11-9-19(6,22-7)13-15(20)12-18(4,5)14-16(20)21/h9,11,15H,12-14H2,1-7H3/t15?,19-,20?/m1/s1 |
| InChIKey |
YKBGZJAROTYBKY-KHPNHKCMSA-N |
| SMILES |
C12(C#CC(C)(C)C)C(CC(CC2=O)(C)C)C[C@@](C=C1)(OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949737 |
