SpectraBase Compound ID | 5hct6POy17i |
---|---|
InChI | InChI=1S/C14H17NO2/c16-14(15-6-8-17-9-7-15)13-10-12(13)11-4-2-1-3-5-11/h1-5,12-13H,6-10H2/t12-,13+/m0/s1 InChI=1S/C14H17NO2/c16-14(15-6-8-17-9-7-15)13-10-12(13)11-4-2-1-3-5-11/h1-5,12-13H,6-10H2/t12-,13+/m1/s1 |
InChIKey | XFELRKSEVQXDDH-QWHCGFSZSA-N |
Mol Weight | 231.29 g/mol |
Molecular Formula | C14H17NO2 |
Exact Mass | 231.125929 g/mol |
SpectraBase Spectrum ID | A3uwsSPEAkc |
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Name | Trans-4-[(2-phenyl-1-cyclopropyl)carbonyl] morpholine |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 231.125928789 u |
Formula | C14H17NO2 |
InChI | InChI=1S/C14H17NO2/c16-14(15-6-8-17-9-7-15)13-10-12(13)11-4-2-1-3-5-11/h1-5,12-13H,6-10H2/t12-,13+/m0/s1 |
InChIKey | XFELRKSEVQXDDH-QWHCGFSZSA-N |
Molecular Weight | 231.295 g/mol |
SMILES | C1N(CCOC1)C([C@]1([C@](C=2C=CC=CC2)(C1)[H])[H])=O |
Spectrum/Structure Validation Score (Raman) | 0.996816 |