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1-Ethyldecyl 3-bromobenzoate

View entire compound with spectra: 1 MS (GC)

1-Ethyldecyl 3-bromobenzoate
SpectraBase Compound ID 69yn8B2tD4n
InChI InChI=1S/C19H29BrO2/c1-3-5-6-7-8-9-10-14-18(4-2)22-19(21)16-12-11-13-17(20)15-16/h11-13,15,18H,3-10,14H2,1-2H3
InChIKey CPMNRVWLVXFTHE-UHFFFAOYSA-N
Mol Weight 369.34 g/mol
Molecular Formula C19H29BrO2
Exact Mass 368.135093 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2RXfn7qlfid
Name 1-Ethyldecyl 3-bromobenzoate
Alternate Name(s) 3-Bromobenzoic acid, 3-dodecyl ester 3-Bromobenzoic acid dodecan-3-yl ester Dodecan-3-yl 3-bromobenzoate Dodecan-3-yl 3-bromanylbenzoate
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Formula C19H29BrO2
InChI InChI=1S/C19H29BrO2/c1-3-5-6-7-8-9-10-14-18(4-2)22-19(21)16-12-11-13-17(20)15-16/h11-13,15,18H,3-10,14H2,1-2H3
InChIKey CPMNRVWLVXFTHE-UHFFFAOYSA-N
Molecular Weight 369.343 g/mol
SMILES c1cc(C(OC(CC)CCCCCCCCC)=O)cc(c1)Br
SPLASH splash10-001r-3910000000-ef509f0fb121569e3a1a
Source of Spectrum NP-13-4477-0
Wiley ID 1111061