SpectraBase Spectrum ID |
BYDRpFmWDfb |
Name |
N-(1-Oxiranyl-1-phenylmethyl)pyrrolidine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
203.131014170 u |
Formula |
C13H17NO |
InChI |
InChI=1S/C13H17NO/c1-2-6-11(7-3-1)13(12-10-15-12)14-8-4-5-9-14/h1-3,6-7,12-13H,4-5,8-10H2/t12-,13+/m0/s1 |
InChIKey |
VITVVIGARYYOAB-QWHCGFSZSA-N |
Molecular Weight |
203.285 g/mol |
SMILES |
[C@]1(OC1)([C@](N1CCCC1)(C1=CC=CC=C1)[H])[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.880625 |