Debug Info

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_id
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A0o5ok8VUIs
spectrumID
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A0o5ok8VUIs
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1,3-Benzenedicarboxylic acid, 5-(octadecylamino)-, ethyl methyl ester
SpectraBase Compound ID IuO47yFKnt8
InChI InChI=1S/C29H49NO4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30-27-23-25(28(31)33-3)22-26(24-27)29(32)34-5-2/h22-24,30H,4-21H2,1-3H3
InChIKey UKBTUXMIHJHVBQ-UHFFFAOYSA-N
Mol Weight 475.7 g/mol
Molecular Formula C29H49NO4
Exact Mass 475.366159 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A0o5ok8VUIs
Name 1,3-Benzenedicarboxylic acid, 5-(octadecylamino)-, ethyl methyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H49NO4
InChI InChI=1S/C29H49NO4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30-27-23-25(28(31)33-3)22-26(24-27)29(32)34-5-2/h22-24,30H,4-21H2,1-3H3
InChIKey UKBTUXMIHJHVBQ-UHFFFAOYSA-N
Molecular Weight 475.714 g/mol
SMILES N(CCCCCCCCCCCCCCCCCC)c1cc(cc(c1)C(=O)OCC)C(=O)OC
SPLASH splash10-004i-1020900000-32d62832f0d19b1c8330
Source of Spectrum JX-2015-4-813
Synonyms 1-Ethyl 3-methyl 5-(octadecylamino)isophthalate Ethyl methyl 5-(octadecylamino)benzene-1,3-dicarboxylate 5-(octadecylamino)benzene-1,3-dicarboxylic acid O3-ethyl ester O1-methyl ester 3-O-ethyl 1-O-methyl 5-(octadecylamino)benzene-1,3-dicarboxylate O3-ethyl O1-methyl 5-(octadecylamino)benzene-1,3-dicarboxylate
Wiley ID 1726229
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