| SpectraBase Spectrum ID |
q6JSJlLRWz |
| Name |
1H-3A,7-Methanoazulene-4-carboxaldehyde, 2,3,6,7,8,8A-hexahydro-3,8,8-trimethyl-, [3R-(3.alpha.,3A.beta.,7.beta.,8A.alpha.)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
218.167065327 u |
| Formula |
C15H22O |
| InChI |
InChI=1S/C15H22O/c1-10-4-7-13-14(2,3)11-5-6-12(9-16)15(10,13)8-11/h6,9-11,13H,4-5,7-8H2,1-3H3/t10-,11-,13+,15-/m1/s1 |
| InChIKey |
XKFZSRUWOAGKRT-UQFNBPPOSA-N |
| Molecular Weight |
218.340 g/mol |
| SMILES |
[C@]123[C@](C(C)(C)[C@](C3)([H])CC=C1C=O)(CC[C@]2(C)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923302 |
![1H-3a,7-Methanoazulene-4-carboxaldehyde, 2,3,6,7,8,8a-hexahydro-3,8,8-trimethyl-, [3R-(3.alpha.,3a.beta.,7.beta.,8a.alpha.)]-](/api/spectrum/q6JSJlLRWz/structure.png?h=300&w=458 "1H-3a,7-Methanoazulene-4-carboxaldehyde, 2,3,6,7,8,8a-hexahydro-3,8,8-trimethyl-, [3R-(3.alpha.,3a.beta.,7.beta.,8a.alpha.)]-")
