| SpectraBase Spectrum ID |
Iwhw18Wi0t |
| Name |
2-[(1R,6R)-2-(2-Methoxypropyl)-6-methyl-6-vinyl-cyclohex-2-en-1-yl]acrolein |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
248.177630011 u |
| Formula |
C16H24O2 |
| InChI |
InChI=1S/C16H24O2/c1-6-16(4)9-7-8-14(10-13(3)18-5)15(16)12(2)11-17/h6,8,11,13,15H,1-2,7,9-10H2,3-5H3/t13?,15-,16+/m1/s1 |
| InChIKey |
FSNPCNLAIKFHJU-CZVYVAOFSA-N |
| Molecular Weight |
248.366 g/mol |
| SMILES |
C=1([C@]([C@](C=C)(C)CCC1)(C(=C)C=O)[H])CC(OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.881148 |
![2-[(1R,6R)-2-(2-methoxypropyl)-6-methyl-6-vinyl-cyclohex-2-en-1-yl]acrolein](/api/spectrum/Iwhw18Wi0t/structure.png?h=300&w=458 "2-[(1R,6R)-2-(2-methoxypropyl)-6-methyl-6-vinyl-cyclohex-2-en-1-yl]acrolein")
