| SpectraBase Spectrum ID |
Iydui3W55TJ |
| Name |
Epidepride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
418.075337606 u |
| Formula |
C16H23IN2O3 |
| InChI |
InChI=1S/C16H23IN2O3/c1-4-19-7-5-6-12(19)10-18-16(20)13-8-11(17)9-14(21-2)15(13)22-3/h8-9,12H,4-7,10H2,1-3H3,(H,18,20)/t12-/m0/s1 |
| InChIKey |
APNNSBJHVTUORL-LBPRGKRZSA-N |
| Molecular Weight |
418.275 g/mol |
| SMILES |
C=1(C(=C(OC)C=C(C1)I)OC)C(NC[C@]1(N(CCC1)CC)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898485 |
