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1-cyanoheptyl benzoate

View entire compound with spectra: 1 MS (GC)

1-cyanoheptyl benzoate
SpectraBase Compound ID 3dgitwXHJnC
InChI InChI=1S/C15H19NO2/c1-2-3-4-8-11-14(12-16)18-15(17)13-9-6-5-7-10-13/h5-7,9-10,14H,2-4,8,11H2,1H3
InChIKey QTMCWBCWPMYQPS-UHFFFAOYSA-N
Mol Weight 245.32 g/mol
Molecular Formula C15H19NO2
Exact Mass 245.141579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FTWPjPOKds3
Name 1-cyanoheptyl benzoate
Alternate Name(s) benzoic acid 1-cyanoheptyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H19NO2
InChI InChI=1S/C15H19NO2/c1-2-3-4-8-11-14(12-16)18-15(17)13-9-6-5-7-10-13/h5-7,9-10,14H,2-4,8,11H2,1H3
InChIKey QTMCWBCWPMYQPS-UHFFFAOYSA-N
Molecular Weight 245.322 g/mol
SMILES C(OC(C#N)CCCCCC)(=O)c1ccccc1
SPLASH splash10-0ab9-0900000000-8af63547bdc2632ccc3a
Source of Spectrum F4-0-2795-3
Wiley ID 1618853