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[(18)O]2-undecanone

View entire compound with spectra: 1 MS (GC)

[(18)O]2-undecanone
SpectraBase Compound ID 3O6q0DCnWpp
InChI InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3/i12+2
InChIKey KYWIYKKSMDLRDC-HVRMQOCCSA-N
Mol Weight 172.3 g/mol
Molecular Formula C11H2218O
Exact Mass 172.17131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2BiaUJhO2C
Name [(18)O]2-undecanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 172.171310321 u
Formula C11H22[18O]
InChI InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3/i12+2
InChIKey KYWIYKKSMDLRDC-HVRMQOCCSA-N
Inlet Type Splitless
Instrument Name Agilent 5975C GC
Ionization Type EI
Literature Reference DOI 10.1002/anie.202111163
Molecular Weight 172.296 g/mol
Quality 862
SMILES CC(CCCCCCCCC)=[18O]
SPLASH splash10-08mi-9100000000-65e2b3538bb92c202ba5
Source of Spectrum ACI-60-SM69-Figure S94B (DOI: 10.1002/anie.202111163)
Wiley ID 1891408