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Benzoic acid, 4-(nonyloxy)-, 4-(2-ethoxypropoxy)phenyl ester, (S)-
SpectraBase Compound ID 34myykgmKpu
InChI InChI=1S/C27H38O5/c1-4-6-7-8-9-10-11-20-30-24-14-12-23(13-15-24)27(28)32-26-18-16-25(17-19-26)31-21-22(3)29-5-2/h12-19,22H,4-11,20-21H2,1-3H3/t22-/m0/s1
InChIKey HQETXPYFUAICAW-QFIPXVFZSA-N
Mol Weight 442.6 g/mol
Molecular Formula C27H38O5
Exact Mass 442.271924 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J8iaH9QT0xO
Name Benzoic acid, 4-(nonyloxy)-, 4-(2-ethoxypropoxy)phenyl ester, (S)-
CAS Registry Number 103239-87-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H38O5
InChI InChI=1S/C27H38O5/c1-4-6-7-8-9-10-11-20-30-24-14-12-23(13-15-24)27(28)32-26-18-16-25(17-19-26)31-21-22(3)29-5-2/h12-19,22H,4-11,20-21H2,1-3H3/t22-/m0/s1
InChIKey HQETXPYFUAICAW-QFIPXVFZSA-N
Molecular Weight 442.596 g/mol
SMILES C(Oc1ccc(OC[C@@](OCC)(C)[H])cc1)(c1ccc(cc1)OCCCCCCCCC)=O
SPLASH splash10-006t-0590200000-7182f0b0c42673783a6b
Source of Spectrum C-108-5220-0
Synonyms 4-{[(2S)-2-ethoxypropyl]oxy}phenyl 4-(nonyloxy)benzoate
Wiley ID 1385447