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N-[1-(4-Fluoro-2H-1,3-benzodioxol-5-yl)propan-2-yl]benzamide
SpectraBase Compound ID 9Bj7rg3q09z
InChI InChI=1S/C17H16FNO3/c1-11(19-17(20)12-5-3-2-4-6-12)9-13-7-8-14-16(15(13)18)22-10-21-14/h2-8,11H,9-10H2,1H3,(H,19,20)
InChIKey ATMUFBLXLOPKCA-UHFFFAOYSA-N
Mol Weight 301.32 g/mol
Molecular Formula C17H16FNO3
Exact Mass 301.111422 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 21KYgs5NPU
Name N-[1-(4-Fluoro-2H-1,3-benzodioxol-5-yl)propan-2-yl]benzamide
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 301.111421539 u
Formula C17H16FNO3
InChI InChI=1S/C17H16FNO3/c1-11(19-17(20)12-5-3-2-4-6-12)9-13-7-8-14-16(15(13)18)22-10-21-14/h2-8,11H,9-10H2,1H3,(H,19,20)
InChIKey ATMUFBLXLOPKCA-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 301.317 g/mol
Nominal Mass 301 u
Quality 995
Retention Index 2406
SMILES C12=C(C(CC(NC(C=3C=CC=CC3)=O)C)=CC=C1OCO2)F
SPLASH splash10-0a59-2900000000-753868b315f529fe13ee
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N-(1-(4-fluoro-1,3-benzodioxol-5-yl)propan-2-yl)benzamide
Technique GC/MS
Wiley ID DD2024_022892