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1,2-Dodecanediol, 2-benzoate

View entire compound with spectra: 1 MS (GC)

1,2-Dodecanediol, 2-benzoate
SpectraBase Compound ID KcQPRoioOOu
InChI InChI=1S/C19H30O3/c1-2-3-4-5-6-7-8-12-15-18(16-20)22-19(21)17-13-10-9-11-14-17/h9-11,13-14,18,20H,2-8,12,15-16H2,1H3
InChIKey LXGIAXUFGLDTIT-UHFFFAOYSA-N
Mol Weight 306.45 g/mol
Molecular Formula C19H30O3
Exact Mass 306.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H8skT2DmdAu
Name 1,2-Dodecanediol, 2-benzoate
Alternate Name(s) 1,2-Dodecanediol 2-O-benzoyl ester 1-(hydroxymethyl)undecyl benzoate
CAS Registry Number 128733-32-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H30O3
InChI InChI=1S/C19H30O3/c1-2-3-4-5-6-7-8-12-15-18(16-20)22-19(21)17-13-10-9-11-14-17/h9-11,13-14,18,20H,2-8,12,15-16H2,1H3
InChIKey LXGIAXUFGLDTIT-UHFFFAOYSA-N
Molecular Weight 306.446 g/mol
SMILES OCC(OC(=O)c1ccccc1)CCCCCCCCCC
SPLASH splash10-0a4i-2910000000-7d3fe3eb90674db17ca9
Source of Spectrum J-55-5136-0
Wiley ID 1308423