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3-Chloro-N-isochroman-1-ylmethyl-propionamide

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

3-Chloro-N-isochroman-1-ylmethyl-propionamide
SpectraBase Compound ID 5ZFvhKNHJBU
InChI InChI=1S/C13H16ClNO2/c14-7-5-13(16)15-9-12-11-4-2-1-3-10(11)6-8-17-12/h1-4,12H,5-9H2,(H,15,16)
InChIKey KDGHYXCICWUTDR-UHFFFAOYSA-N
Mol Weight 253.73 g/mol
Molecular Formula C13H16ClNO2
Exact Mass 253.086956 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID G9X7IRcH1TG
Name propanamide, 3-chloro-N-[(3,4-dihydro-1H-2-benzopyran-1-yl)methyl]-
Copyright Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 253.086956457 u
Formula C13H16ClNO2
InChI InChI=1S/C13H16ClNO2/c14-7-5-13(16)15-9-12-11-4-2-1-3-10(11)6-8-17-12/h1-4,12H,5-9H2,(H,15,16)
InChIKey KDGHYXCICWUTDR-UHFFFAOYSA-N
Molecular Weight 253.729 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15745
Solvent DMSO-d6
Source Vendor ID: NMR/11220563; Lab Info: AMI; Lab Number: 4359