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object
{15}
_id
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2xh5mtnteFJ
spectrumID
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2xh5mtnteFJ
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specType
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131072
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properties
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analyticalTechnique
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MS (GC)
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Mass Spectrum (GC)
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compound
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Benzenesulfonic acid, 4-methyl-, 8,8-diphenyloctyl ester
SpectraBase Compound ID 5XavmHWIosX
InChI InChI=1S/C27H32O3S/c1-23-18-20-26(21-19-23)31(28,29)30-22-12-4-2-3-11-17-27(24-13-7-5-8-14-24)25-15-9-6-10-16-25/h5-10,13-16,18-21,27H,2-4,11-12,17,22H2,1H3
InChIKey KLQQBHOFRLRGOC-UHFFFAOYSA-N
Mol Weight 436.6 g/mol
Molecular Formula C27H32O3S
Exact Mass 436.207216 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2xh5mtnteFJ
Name Benzenesulfonic acid, 4-methyl-, 8,8-diphenyloctyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H32O3S
InChI InChI=1S/C27H32O3S/c1-23-18-20-26(21-19-23)31(28,29)30-22-12-4-2-3-11-17-27(24-13-7-5-8-14-24)25-15-9-6-10-16-25/h5-10,13-16,18-21,27H,2-4,11-12,17,22H2,1H3
InChIKey KLQQBHOFRLRGOC-UHFFFAOYSA-N
Molecular Weight 436.610 g/mol
SMILES c1(ccc(C)cc1)S(=O)(=O)OCCCCCCCC(c1ccccc1)c1ccccc1
SPLASH splash10-014i-2900000000-f8de2a2d5b723087a491
Synonyms 4-Methylbenzenesulfonic acid 8,8-diphenyloctyl ester 8,8-Diphenyloctyl 4-methylbenzenesulfonate
Wiley ID 1478674
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