| SpectraBase Spectrum ID |
ERuF06wQAI8 |
| Name |
1-Naphthalenecarboxaldehyde, 8A-(1,3-dioxolan-2-yl)-3,4,4A,5,6,7,8,8A-octahydro-2,5-dimethyl-5-(4-methyl-3-pentenyl)-, [4as-(4A.alpha.,5.alpha.,8A.beta.)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.250794952 u |
| Formula |
C22H34O3 |
| InChI |
InChI=1S/C22H34O3/c1-16(2)7-5-10-21(4)11-6-12-22(20-24-13-14-25-20)18(15-23)17(3)8-9-19(21)22/h7,15,19-20H,5-6,8-14H2,1-4H3/t19-,21+,22-/m0/s1 |
| InChIKey |
QPWFVYYPDKCUTK-NNWRFLSQSA-N |
| Molecular Weight |
346.511 g/mol |
| SMILES |
[C@@]12(C(=C(C)CC[C@]2([C@@](CCC=C(C)C)(C)CCC1)[H])C=O)C1OCCO1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921918 |
![1-Naphthalenecarboxaldehyde, 8a-(1,3-dioxolan-2-yl)-3,4,4a,5,6,7,8,8a-octahydro-2,5-dimethyl-5-(4-methyl-3-pentenyl)-, [4aS-(4a.alpha.,5.alpha.,8a.beta.)]-](/api/spectrum/ERuF06wQAI8/structure.png?h=300&w=458 "1-Naphthalenecarboxaldehyde, 8a-(1,3-dioxolan-2-yl)-3,4,4a,5,6,7,8,8a-octahydro-2,5-dimethyl-5-(4-methyl-3-pentenyl)-, [4aS-(4a.alpha.,5.alpha.,8a.beta.)]-")
