SpectraBase Spectrum ID |
4430QQ4t0gR |
Name |
[2-Amino-4-(adamantyl-1)phenyl]cyclopropane |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
267.198699809 u |
Formula |
C19H25N |
InChI |
InChI=1S/C19H25N/c20-18-8-17(18)15-1-3-16(4-2-15)19-9-12-5-13(10-19)7-14(6-12)11-19/h1-4,12-14,17-18H,5-11,20H2/t12-,13+,14-,17?,18?,19- |
InChIKey |
WQODPQVVCDBAJW-ADMZXBLGSA-N |
Molecular Weight |
267.416 g/mol |
SMILES |
C1=C(C=CC(=C1)C1CC1N)C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929818 |