| SpectraBase Spectrum ID |
GBlyvJP7KUM |
| Name |
Bicyclo[3.1.0]hexan-3-one, 4-methoxy-4-methyl-1-(1-methylethyl)-, [1S-(1.alpha.,4.alpha.,5.alpha.)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
182.130679818 u |
| Formula |
C11H18O2 |
| InChI |
InChI=1S/C11H18O2/c1-7(2)11-5-8(11)10(3,13-4)9(12)6-11/h7-8H,5-6H2,1-4H3/t8-,10-,11+/m1/s1 |
| InChIKey |
NGQFMCRMXBENRW-IEBDPFPHSA-N |
| Molecular Weight |
182.263 g/mol |
| SMILES |
[C@@]12([C@]([C@](OC)(C)C(C2)=O)([H])C1)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.90309 |
![Bicyclo[3.1.0]hexan-3-one, 4-methoxy-4-methyl-1-(1-methylethyl)-, [1S-(1.alpha.,4.alpha.,5.alpha.)]-](/api/spectrum/GBlyvJP7KUM/structure.png?h=300&w=458 "Bicyclo[3.1.0]hexan-3-one, 4-methoxy-4-methyl-1-(1-methylethyl)-, [1S-(1.alpha.,4.alpha.,5.alpha.)]-")
