SpectraBase Spectrum ID |
I5SiJRH4IDk |
Name |
ile-ile, N-(N-Propyloxycarbonyl)-, methyl ester (isomer 2) |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
344.231122133 u |
Formula |
C17H32N2O5 |
InChI |
InChI=1S/C17H32N2O5/c1-7-10-24-17(22)19-13(11(4)8-2)15(20)18-14(12(5)9-3)16(21)23-6/h11-14H,7-10H2,1-6H3,(H,18,20)(H,19,22) |
InChIKey |
BAEOSLVFPXLTFR-UHFFFAOYSA-N |
Molecular Weight |
344.452 g/mol |
SMILES |
C(C(C(NC(C(CC)C)C(OC)=O)=O)NC(OCCC)=O)(CC)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.910205 |