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cis-(2R,4S)-1-(4-methyltetrahydropyran-2-yl)-propan-2-one
SpectraBase Compound ID AGpy0PzbKPC
InChI InChI=1S/C9H16O2/c1-7-3-4-11-9(5-7)6-8(2)10/h7,9H,3-6H2,1-2H3/t7-,9+/m0/s1
InChIKey LBOQZBRHNXPXIY-IONNQARKSA-N
Mol Weight 156.22 g/mol
Molecular Formula C9H16O2
Exact Mass 156.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HOSvGliXdZZ
Name cis-(2R,4S)-1-(4-methyltetrahydropyran-2-yl)-propan-2-one
Classification Oxanes
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 156.115029753 u
Formula C9H16O2
InChI InChI=1S/C9H16O2/c1-7-3-4-11-9(5-7)6-8(2)10/h7,9H,3-6H2,1-2H3/t7-,9+/m0/s1
InChIKey LBOQZBRHNXPXIY-IONNQARKSA-N
Molecular Weight 156.225 g/mol
Number of Peaks 10
SMILES C1CO[C@](C[C@]1(C)[H])(CC(C)=O)[H]
SPLASH splash10-0006-9100000000-b2059b3433f054cc54ed
Source of Spectrum FF-12-383-cis_9 (DOI: 10.1002_(SICI)1099-1026(199711_12)12_6_381)
Synonyms cis-(2R,4S)-Rose oxide ketone 1-((2R,4S)-4-methyltetrahydro-2H-pyran-2-yl)propan-2-one 1-[(2R,4S)-4-methyl-2-oxanyl]-2-propanone 1-[(2R,4S)-4-methyltetrahydropyran-2-yl]propan-2-one 1-[(2R,4S)-4-methyloxan-2-yl]propan-2-one
Wiley ID 1775143