| SpectraBase Spectrum ID |
2DiszEfv8f5 |
| Name |
Bicyclo[4.1.0]hept-2-ene-7-carboxaldehyde, 7-methyl-3-[(phenylmethoxy)methyl]-, (1.alpha.,6.alpha.,7.alpha.)-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
256.146329882 u |
| Formula |
C17H20O2 |
| InChI |
InChI=1S/C17H20O2/c1-17(12-18)15-8-7-14(9-16(15)17)11-19-10-13-5-3-2-4-6-13/h2-6,9,12,15-16H,7-8,10-11H2,1H3/t15-,16+,17+/m1/s1 |
| InChIKey |
NHTUHIVPCBNDPM-IKGGRYGDSA-N |
| Molecular Weight |
256.345 g/mol |
| SMILES |
[C@@]12([C@](C=O)(C)[C@@]2(CCC(=C1)COCC=1C=CC=CC1)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.894661 |
![Bicyclo[4.1.0]hept-2-ene-7-carboxaldehyde, 7-methyl-3-[(phenylmethoxy)methyl]-, (1.alpha.,6.alpha.,7.alpha.)-(.+-.)-](/api/spectrum/2DiszEfv8f5/structure.png?h=300&w=458 "Bicyclo[4.1.0]hept-2-ene-7-carboxaldehyde, 7-methyl-3-[(phenylmethoxy)methyl]-, (1.alpha.,6.alpha.,7.alpha.)-(.+-.)-")
