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Benzoic acid, 4-(nonyloxy)-, 4-(2-methoxypropoxy)phenyl ester, (S)-
SpectraBase Compound ID AsCWbSidoPW
InChI InChI=1S/C26H36O5/c1-4-5-6-7-8-9-10-19-29-23-13-11-22(12-14-23)26(27)31-25-17-15-24(16-18-25)30-20-21(2)28-3/h11-18,21H,4-10,19-20H2,1-3H3/t21-/m0/s1
InChIKey DIEFRJOPWUBJCB-NRFANRHFSA-N
Mol Weight 428.6 g/mol
Molecular Formula C26H36O5
Exact Mass 428.256274 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G9kPXgg5oGv
Name Benzoic acid, 4-(nonyloxy)-, 4-(2-methoxypropoxy)phenyl ester, (S)-
Alternate Name(s) 4-{[(2S)-2-methoxypropyl]oxy}phenyl 4-(nonyloxy)benzoate
CAS Registry Number 103239-86-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H36O5
InChI InChI=1S/C26H36O5/c1-4-5-6-7-8-9-10-19-29-23-13-11-22(12-14-23)26(27)31-25-17-15-24(16-18-25)30-20-21(2)28-3/h11-18,21H,4-10,19-20H2,1-3H3/t21-/m0/s1
InChIKey DIEFRJOPWUBJCB-NRFANRHFSA-N
Molecular Weight 428.569 g/mol
SMILES C(Oc1ccc(OC[C@@](OC)(C)[H])cc1)(c1ccc(cc1)OCCCCCCCCC)=O
SPLASH splash10-0092-0690600000-ae33a11902a3818ae54f
Source of Spectrum C-108-5220-0
Wiley ID 1380801