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Crinan-3-one

View entire compound with spectra: 1 MS (GC)

Crinan-3-one
SpectraBase Compound ID G73ayfeulnv
InChI InChI=1S/C16H17NO3/c18-11-1-2-16-3-4-17(15(16)6-11)8-10-5-13-14(7-12(10)16)20-9-19-13/h5,7,15H,1-4,6,8-9H2
InChIKey VUTLCCKNUVSKAG-UHFFFAOYSA-N
Mol Weight 271.32 g/mol
Molecular Formula C16H17NO3
Exact Mass 271.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7zZMRf2smxg
Name Crinan-3-one
CAS Registry Number 10305-81-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17NO3
InChI InChI=1S/C16H17NO3/c18-11-1-2-16-3-4-17(15(16)6-11)8-10-5-13-14(7-12(10)16)20-9-19-13/h5,7,15H,1-4,6,8-9H2
InChIKey VUTLCCKNUVSKAG-UHFFFAOYSA-N
Molecular Weight 271.316 g/mol
SMILES c1c2CN3CCC4(CCC(CC34)=O)c2cc2c1OCO2
SPLASH splash10-0gi9-0690000000-656edbe631463c0b3d59
Source of Spectrum C-105-7643-0
Wiley ID 1275329