| SpectraBase Spectrum ID |
F26kgot1YSD |
| Name |
(1S,6S,7S)-1-Methyl-7-[(E)-prop-1-enyl]norcaran-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
164.120115134 u |
| Formula |
C11H16O |
| InChI |
InChI=1S/C11H16O/c1-3-5-8-9-6-4-7-10(12)11(8,9)2/h3,5,8-9H,4,6-7H2,1-2H3/b5-3+/t8-,9-,11+/m0/s1 |
| InChIKey |
RAMUQAHJNIACCV-GXCOPIHUSA-N |
| Molecular Weight |
164.248 g/mol |
| SMILES |
[C@@]12([C@@](\C=C\C)([C@@]2(CCCC1=O)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942984 |
![(1S,6S,7S)-1-methyl-7-[(E)-prop-1-enyl]norcaran-2-one](/api/spectrum/F26kgot1YSD/structure.png?h=300&w=458 "(1S,6S,7S)-1-methyl-7-[(E)-prop-1-enyl]norcaran-2-one")
