| SpectraBase Spectrum ID |
2XMbs8s2Mr3 |
| Name |
(5R,6S,7S)-10-Methyl-6-oxidanyl-7-propan-2-yl-spiro[4.5]dec-9-en-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
222.161979946 u |
| Formula |
C14H22O2 |
| InChI |
InChI=1S/C14H22O2/c1-9(2)12-5-4-10(3)14(13(12)16)7-6-11(15)8-14/h4,9,12-13,16H,5-8H2,1-3H3/t12-,13-,14+/m0/s1 |
| InChIKey |
YFYAMIKXHQXNLL-MELADBBJSA-N |
| Molecular Weight |
222.328 g/mol |
| SMILES |
[C@]12([C@]([C@](C(C)C)(CC=C2C)[H])(O)[H])CCC(C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.853096 |
![(5R,6S,7S)-10-methyl-6-oxidanyl-7-propan-2-yl-spiro[4.5]dec-9-en-3-one](/api/spectrum/2XMbs8s2Mr3/structure.png?h=300&w=458 "(5R,6S,7S)-10-methyl-6-oxidanyl-7-propan-2-yl-spiro[4.5]dec-9-en-3-one")
