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3-Cyclohexyl-4,5,6,7-tetrahydro-1H-benzo[b]azonin-2(3H)-one
SpectraBase Compound ID IDJo1xIqwuX
InChI InChI=1S/C18H25NO/c20-18-16(14-8-2-1-3-9-14)12-6-4-10-15-11-5-7-13-17(15)19-18/h5,7,11,13-14,16H,1-4,6,8-10,12H2,(H,19,20)
InChIKey RXNBGIZTLPKHRD-UHFFFAOYSA-N
Mol Weight 271.4 g/mol
Molecular Formula C18H25NO
Exact Mass 271.193614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KpziKgq1g8A
Name 3-Cyclohexyl-4,5,6,7-tetrahydro-1H-benzo[b]azonin-2(3H)-one
Comments Removed - expert review: contamination (CH2Cl2); A corrected record has been addded having SpectrumID: 1821133
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H25NO
InChI InChI=1S/C18H25NO/c20-18-16(14-8-2-1-3-9-14)12-6-4-10-15-11-5-7-13-17(15)19-18/h5,7,11,13-14,16H,1-4,6,8-10,12H2,(H,19,20)
InChIKey RXNBGIZTLPKHRD-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol201180g
Molecular Weight 271.404 g/mol
SMILES N1c2c(CCCCC(C1=O)C1CCCCC1)cccc2
SPLASH splash10-001v-9000000000-4a1789c5f528e65e606b
Source of Spectrum A1-13-3434/SMS12-5f
Wiley ID 1753373