| SpectraBase Spectrum ID |
77Cp8VMINR |
| Name |
1-Adamantanecarboxamide, N-(2-iodo-4-methylphenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
395.074609331 u |
| Formula |
C18H22INO |
| InChI |
InChI=1S/C18H22INO/c1-11-2-3-16(15(19)4-11)20-17(21)18-8-12-5-13(9-18)7-14(6-12)10-18/h2-4,12-14H,5-10H2,1H3,(H,20,21)/t12-,13+,14-,18- |
| InChIKey |
VEWJBCZAHONQLT-WXZYKRPKSA-N |
| Molecular Weight |
395.284 g/mol |
| SMILES |
C1[C@]2(C[C@]3(CC1(C[C@@](C2)(C3)[H])C(=O)NC=1C=CC(C)=CC1I)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.825402 |
