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Pimelic acid, 3-nitrobenzyl hexyl ester
SpectraBase Compound ID G6ZXjjH4oEx
InChI InChI=1S/C20H29NO6/c1-2-3-4-8-14-26-19(22)12-6-5-7-13-20(23)27-16-17-10-9-11-18(15-17)21(24)25/h9-11,15H,2-8,12-14,16H2,1H3
InChIKey XTDJAINBSYWZDE-UHFFFAOYSA-N
Mol Weight 379.45 g/mol
Molecular Formula C20H29NO6
Exact Mass 379.199488 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 90nYpIkEMLU
Name Pimelic acid, 3-nitrobenzyl hexyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H29NO6
InChI InChI=1S/C20H29NO6/c1-2-3-4-8-14-26-19(22)12-6-5-7-13-20(23)27-16-17-10-9-11-18(15-17)21(24)25/h9-11,15H,2-8,12-14,16H2,1H3
InChIKey XTDJAINBSYWZDE-UHFFFAOYSA-N
Molecular Weight 379.453 g/mol
SMILES C(CCCCCC(OCc1cccc(c1)N(=O)=O)=O)(OCCCCCC)=O
SPLASH splash10-002u-7910000000-a9deb047ab3693ee3503
Source of Spectrum TIPS-2022-696-0
Wiley ID 1822213