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Oxacyclotridecan-2-one

View entire compound with spectra: 3 NMR, 1 FTIR, and 8 MS (GC)

Oxacyclotridecan-2-one
SpectraBase Compound ID Lrsrd3bxsIQ
InChI InChI=1S/C12H22O2/c13-12-10-8-6-4-2-1-3-5-7-9-11-14-12/h1-11H2
InChIKey DQGSJTVMODPFBK-UHFFFAOYSA-N
Mol Weight 198.31 g/mol
Molecular Formula C12H22O2
Exact Mass 198.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ZvwQQmL9j6
Name Oxacyclotridecan-2-one
CAS Registry Number 947-05-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O2
InChI InChI=1S/C12H22O2/c13-12-10-8-6-4-2-1-3-5-7-9-11-14-12/h1-11H2
InChIKey DQGSJTVMODPFBK-UHFFFAOYSA-N
Molecular Weight 198.306 g/mol
SMILES C1COC(CCCCCCCCC1)=O
SPLASH splash10-01q1-0900000000-dadbeea5443c468bb051
Source of Spectrum J-61-4567-0
Synonyms 12-Dodecanolide 1-Oxacyclotridecan-2-one 2-Oxacyclotridecan-1-one Dodecanolactone
Wiley ID 1195910