SpectraBase Spectrum ID |
8KfiC4VcKaJ |
Name |
[3-Amino-1,2,2-trimethylcyclopentyl]methyl acetate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
157.146664235 u |
Formula |
C9H19NO |
InChI |
InChI=1S/C9H19NO/c1-8(2)7(10)4-5-9(8,3)6-11/h7,11H,4-6,10H2,1-3H3/t7-,9-/m0/s1 |
InChIKey |
VZQOTLUPBZDEQV-CBAPKCEASA-N |
Molecular Weight |
157.257 g/mol |
SMILES |
C1([C@@](CC[C@@]1(N)[H])(CO)C)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912273 |