| SpectraBase Spectrum ID |
b1EZUPAO7U |
| Name |
1-Adamantanecarboxamide, N-(2,5-dimethoxyphenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
315.183443666 u |
| Formula |
C19H25NO3 |
| InChI |
InChI=1S/C19H25NO3/c1-22-15-3-4-17(23-2)16(8-15)20-18(21)19-9-12-5-13(10-19)7-14(6-12)11-19/h3-4,8,12-14H,5-7,9-11H2,1-2H3,(H,20,21)/t12-,13+,14-,19- |
| InChIKey |
XIILAZSITCVNCS-KRFSREQESA-N |
| SMILES |
C1[C@]2(C[C@]3(CC1(C[C@@](C2)(C3)[H])C(=O)NC1=CC(OC)=CC=C1OC)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.833221 |
