| SpectraBase Spectrum ID |
LAKirhxrMRv |
| Name |
(1R,4S)-1-Isopropyl-6-methoxy-4,7-dimethyl-tetralin-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
246.161979946 u |
| Formula |
C16H22O2 |
| InChI |
InChI=1S/C16H22O2/c1-9(2)16-13-6-11(4)15(18-5)8-12(13)10(3)7-14(16)17/h6,8-10,16H,7H2,1-5H3/t10-,16+/m0/s1 |
| InChIKey |
MGLWKHLTALUWRL-MGPLVRAMSA-N |
| Molecular Weight |
246.350 g/mol |
| SMILES |
C12=C(C=C(C(=C2)C)OC)[C@@](C)(CC([C@@]1(C(C)C)[H])=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933534 |
