| SpectraBase Spectrum ID |
Jxgw6waVNSx |
| Name |
4,7-Methano-1H-indene-1-carboxaldehyde, 2-ethenyl-2,3,3A,4,7,7A-hexahydro-, (1.alpha.,2.alpha.,3A.beta.,4.beta.,7.beta.,7A.beta.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
188.120115134 u |
| Formula |
C13H16O |
| InChI |
InChI=1S/C13H16O/c1-2-8-6-11-9-3-4-10(5-9)13(11)12(8)7-14/h2-4,7-13H,1,5-6H2/t8-,9-,10+,11-,12-,13+/m1/s1 |
| InChIKey |
BCRVJJOAXIZMJC-LYUGOTMTSA-N |
| Molecular Weight |
188.270 g/mol |
| SMILES |
[C@]12([C@]([C@]3([H])C[C@]2(C=C3)[H])([C@](C=O)([C@@](C1)(C=C)[H])[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91136 |
