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7-Ethyl-2,3,4,5,6,7-hexahydrocyclopent(b)azepin-8(1H)-one

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

7-Ethyl-2,3,4,5,6,7-hexahydrocyclopent(b)azepin-8(1H)-one
SpectraBase Compound ID FcJ128yT5Is
InChI InChI=1S/C11H17NO/c1-2-8-7-9-5-3-4-6-12-10(9)11(8)13/h8,12H,2-7H2,1H3
InChIKey RXFDRMNPYAIRFJ-UHFFFAOYSA-N
Mol Weight 179.26 g/mol
Molecular Formula C11H17NO
Exact Mass 179.131014 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2NXhYQyxPTf
Name 7-Ethyl-2,3,4,5,6,7-hexahydrocyclopent(B)azepin-8(1H)-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 179.131014170 u
Formula C11H17NO
InChI InChI=1S/C11H17NO/c1-2-8-7-9-5-3-4-6-12-10(9)11(8)13/h8,12H,2-7H2,1H3
InChIKey RXFDRMNPYAIRFJ-UHFFFAOYSA-N
Molecular Weight 179.263 g/mol
SMILES C1=2C(C(CC)CC2CCCCN1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.877292