| SpectraBase Spectrum ID |
9tt82kVJDY8 |
| Name |
Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[(6-methoxy-6-oxohexyl)oxy]-, methyl ester, (2-endo,3-exo)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
296.162373868 u |
| Formula |
C16H24O5 |
| InChI |
InChI=1S/C16H24O5/c1-19-13(17)6-4-3-5-9-21-15-12-8-7-11(10-12)14(15)16(18)20-2/h7-8,11-12,14-15H,3-6,9-10H2,1-2H3/t11-,12-,14?,15?/m1/s1 |
| InChIKey |
NCFIZZBAHSJFCA-HGWMRPEMSA-N |
| SMILES |
C1([C@@]2(C=C[C@@](C1OCCCCCC(=O)OC)(C2)[H])[H])C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.914688 |
![Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[(6-methoxy-6-oxohexyl)oxy]-, methyl ester, (2-endo,3-exo)-](/api/spectrum/9tt82kVJDY8/structure.png?h=300&w=458 "Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[(6-methoxy-6-oxohexyl)oxy]-, methyl ester, (2-endo,3-exo)-")
