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1-Pentanone, 1-bicyclo[4.1.0]hept-7-yl-
SpectraBase Compound ID 6ruqoBUTTO6
InChI InChI=1S/C12H20O/c1-2-3-8-11(13)12-9-6-4-5-7-10(9)12/h9-10,12H,2-8H2,1H3
InChIKey BYUUONUALZVHNS-UHFFFAOYSA-N
Mol Weight 180.29 g/mol
Molecular Formula C12H20O
Exact Mass 180.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IAV42BI2DO0
Name 1-Pentanone, 1-bicyclo[4.1.0]hept-7-yl-
Alternate Name(s) 1-Bicyclo[4.1.0]hept-7-yl-1-pentanone 1-(7-bicyclo[4.1.0]heptanyl)-1-pentanone 1-(7-bicyclo[4.1.0]heptanyl)pentan-1-one 1-norcaran-7-ylpentan-1-one
CAS Registry Number 54764-59-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O
InChI InChI=1S/C12H20O/c1-2-3-8-11(13)12-9-6-4-5-7-10(9)12/h9-10,12H,2-8H2,1H3
InChIKey BYUUONUALZVHNS-UHFFFAOYSA-N
Molecular Weight 180.291 g/mol
SMILES C(CCCC)(=O)C1C2CCCCC12
SPLASH splash10-0079-9700000000-8d9009b5b8199cb9f356
Source of Spectrum SD-1981-0-0
Wiley ID 1176803