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Pimelic acid, 3-nitrobenzyl butyl ester
SpectraBase Compound ID 3A0o4vX1oex
InChI InChI=1S/C18H25NO6/c1-2-3-12-24-17(20)10-5-4-6-11-18(21)25-14-15-8-7-9-16(13-15)19(22)23/h7-9,13H,2-6,10-12,14H2,1H3
InChIKey BBKKYVIMIFBANS-UHFFFAOYSA-N
Mol Weight 351.4 g/mol
Molecular Formula C18H25NO6
Exact Mass 351.168188 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 49aryolbtdG
Name Pimelic acid, 3-nitrobenzyl butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H25NO6
InChI InChI=1S/C18H25NO6/c1-2-3-12-24-17(20)10-5-4-6-11-18(21)25-14-15-8-7-9-16(13-15)19(22)23/h7-9,13H,2-6,10-12,14H2,1H3
InChIKey BBKKYVIMIFBANS-UHFFFAOYSA-N
Molecular Weight 351.399 g/mol
SMILES C(CCCCCC(OCc1cccc(c1)N(=O)=O)=O)(OCCCC)=O
SPLASH splash10-002u-6910000000-514487e0628b10480f7e
Source of Spectrum TIPS-2022-694-0
Wiley ID 1822211