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2-methyl-2-(18O)oxidanyl-tetralin-1-one
SpectraBase Compound ID IUobYTR2jwr
InChI InChI=1S/C11H12O2/c1-11(13)7-6-8-4-2-3-5-9(8)10(11)12/h2-5,13H,6-7H2,1H3/i13+2
InChIKey HAMPENXKJTUEGY-ALWQSETLSA-N
Mol Weight 178.22 g/mol
Molecular Formula C11H12O18O
Exact Mass 178.087975 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4vlsXY4vDM
Name 2-methyl-2-(18O)oxidanyl-tetralin-1-one
Comments Original formula: C11H12O[18O]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O2
InChI InChI=1S/C11H12O2/c1-11(13)7-6-8-4-2-3-5-9(8)10(11)12/h2-5,13H,6-7H2,1H3/i13+2
InChIKey HAMPENXKJTUEGY-ALWQSETLSA-N
Instrument Name Shimadzu GC/MS-QP2010
Ionization Type EI
Literature Reference DOI 10.1002/anie.202014478
Molecular Weight 178.215 g/mol
SMILES [18OH]C1(CCc2ccccc2C1=O)C
SPLASH splash10-014m-9800000000-ad3c5fe47205409b303f
Source of Spectrum ACI-60-SM5-S5-2
Wiley ID 1880232