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1-(Phenylmethoxy)-2-(3-(1-oxopropyl)-3,5-cycloheptadiene
SpectraBase Compound ID F7MQv96TixK
InChI InChI=1S/C17H20O2/c1-2-16(18)15-11-7-4-8-12-17(15)19-13-14-9-5-3-6-10-14/h3-11,15,17H,2,12-13H2,1H3
InChIKey SQEKLHOKTNSBKE-UHFFFAOYSA-N
Mol Weight 256.34 g/mol
Molecular Formula C17H20O2
Exact Mass 256.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KZRp8ZdLTVB
Name 1-(Phenylmethoxy)-2-(3-(1-oxopropyl)-3,5-cycloheptadiene
Alternate Name(s) 1-[7-(benzyloxy)-2,4-cycloheptadien-1-yl]-1-propanone
CAS Registry Number 93111-84-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O2
InChI InChI=1S/C17H20O2/c1-2-16(18)15-11-7-4-8-12-17(15)19-13-14-9-5-3-6-10-14/h3-11,15,17H,2,12-13H2,1H3
InChIKey SQEKLHOKTNSBKE-UHFFFAOYSA-N
Molecular Weight 256.345 g/mol
SMILES C1(C(=O)CC)C=CC=CCC1OCc1ccccc1
SPLASH splash10-0006-9300000000-701725fa1b2a8dc93b97
Source of Spectrum C-106-8222-0
Wiley ID 1260261