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1-Acetoxy-1-benzyl-?-oxocycloheptane / isomer 1
SpectraBase Compound ID 7Ib22L5qcDf
InChI InChI=1S/C16H20O3/c1-13(17)19-16(11-7-3-6-10-15(16)18)12-14-8-4-2-5-9-14/h2,4-5,8-9H,3,6-7,10-12H2,1H3
InChIKey DMPLLNQVDZBQLF-UHFFFAOYSA-N
Mol Weight 260.33 g/mol
Molecular Formula C16H20O3
Exact Mass 260.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AKzSWPOLmsI
Name 1-Acetoxy-1-benzyl-?-oxocycloheptane / isomer 1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O3
InChI InChI=1S/C16H20O3/c1-13(17)19-16(11-7-3-6-10-15(16)18)12-14-8-4-2-5-9-14/h2,4-5,8-9H,3,6-7,10-12H2,1H3
InChIKey DMPLLNQVDZBQLF-UHFFFAOYSA-N
Molecular Weight 260.333 g/mol
SMILES C1(OC(=O)C)(C(=O)CCCCC1)Cc1ccccc1
SPLASH splash10-014i-1490000000-9f103dc796bb2bd8d22d
Source of Spectrum JC-428-51-26
Synonyms 1-Acetoxy-1-benzyl-?-oxocycloheptane / isomer 2 1-Benzyl-2-oxocycloheptyl acetate
Wiley ID 1264031