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Phenylacetamide, N-octyl-
SpectraBase Compound ID I4KN8V9IDjc
InChI InChI=1S/C16H25NO/c1-2-3-4-5-6-10-13-17-16(18)14-15-11-8-7-9-12-15/h7-9,11-12H,2-6,10,13-14H2,1H3,(H,17,18)
InChIKey AKPIJQRYVLUWRL-UHFFFAOYSA-N
Mol Weight 247.38 g/mol
Molecular Formula C16H25NO
Exact Mass 247.193614 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IK7Tbc01d0j
Name Phenylacetamide, N-octyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 247.193614428 u
Formula C16H25NO
InChI InChI=1S/C16H25NO/c1-2-3-4-5-6-10-13-17-16(18)14-15-11-8-7-9-12-15/h7-9,11-12H,2-6,10,13-14H2,1H3,(H,17,18)
InChIKey AKPIJQRYVLUWRL-UHFFFAOYSA-N
Molecular Weight 247.382 g/mol
SMILES C(NCCCCCCCC)(=O)CC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.959466