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endo-7-methyl-exo-7-(4-methyl-3-pentenyl)bicyclo[4.1.0]heptan-3-one
SpectraBase Compound ID 7pqYpEa8GRN
InChI InChI=1S/C14H22O/c1-10(2)5-4-8-14(3)12-7-6-11(15)9-13(12)14/h5,12-13H,4,6-9H2,1-3H3
InChIKey BRKMUGYQIDHVJP-UHFFFAOYSA-N
Mol Weight 206.33 g/mol
Molecular Formula C14H22O
Exact Mass 206.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KYtYCjAmCrl
Name endo-7-methyl-exo-7-(4-methyl-3-pentenyl)bicyclo[4.1.0]heptan-3-one
Alternate Name(s) exo-7-methyl-endo-7-(4-methyl-3-pentenyl)bicyclo[4.1.0]heptan-3-one 7-methyl-7-(4-methyl-3-pentenyl)bicyclo[4.1.0]heptan-3-one
CAS Registry Number 97948-74-8
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O
InChI InChI=1S/C14H22O/c1-10(2)5-4-8-14(3)12-7-6-11(15)9-13(12)14/h5,12-13H,4,6-9H2,1-3H3
InChIKey BRKMUGYQIDHVJP-UHFFFAOYSA-N
Molecular Weight 206.329 g/mol
SMILES C1(C2CC(=O)CCC12)(CCC=C(C)C)C
SPLASH splash10-001i-9010000000-6bc5f74000e408392447
Source of Spectrum AJ-58-865-3
Wiley ID 1205241