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6-Benzyloxy-5-nitromethyl-3-oxoheptanoic acid, methyl ester
SpectraBase Compound ID 1wGbY4QFapJ
InChI InChI=1S/C16H21NO6/c1-12(23-11-13-6-4-3-5-7-13)14(10-17(20)21)8-15(18)9-16(19)22-2/h3-7,12,14H,8-11H2,1-2H3
InChIKey AZKFDXKAIRBTBB-UHFFFAOYSA-N
Mol Weight 323.35 g/mol
Molecular Formula C16H21NO6
Exact Mass 323.136887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DMQ3Uzyv5BS
Name 6-BENZYLOXY-5-NITROMETHYL-3-OXOHEPTANOIC ACID, METHYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H21NO6
InChI InChI=1S/C16H21NO6/c1-12(23-11-13-6-4-3-5-7-13)14(10-17(20)21)8-15(18)9-16(19)22-2/h3-7,12,14H,8-11H2,1-2H3
InChIKey AZKFDXKAIRBTBB-UHFFFAOYSA-N
Molecular Weight 323.1363
SMILES c1(COC(C(CC(CC(OC)=O)=O)CN(=O)=O)C)ccccc1
SPLASH splash10-0006-9300000000-0f7fde34dbf02201144d
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany