| SpectraBase Spectrum ID |
AT8QjcCQpxA |
| Name |
1,2-Dimethoxy-4-(adamantyl-1)benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
272.177630011 u |
| Formula |
C18H24O2 |
| InChI |
InChI=1S/C18H24O2/c1-19-16-4-3-15(8-17(16)20-2)18-9-12-5-13(10-18)7-14(6-12)11-18/h3-4,8,12-14H,5-7,9-11H2,1-2H3/t12-,13+,14-,18- |
| InChIKey |
TZGWWYVUTYVFOG-WXZYKRPKSA-N |
| SMILES |
[C@]12(CC3(C[C@](C2)(C[C@](C1)(C3)[H])[H])C=1C=C(C(=CC1)OC)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.860624 |
