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7-Azabicyclo[2.2.1]heptane-2,3,7-tricarboxylic acid, 7-benzyl dimethyl ester, trans-
SpectraBase Compound ID EPfwljfJP5d
InChI InChI=1S/C18H21NO6/c1-23-16(20)14-12-8-9-13(15(14)17(21)24-2)19(12)18(22)25-10-11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15-/m0/s1
InChIKey DRCUIGBWXAALBO-XGUBFFRZSA-N
Mol Weight 347.37 g/mol
Molecular Formula C18H21NO6
Exact Mass 347.136887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LBNVVTJz6EE
Name 7-Azabicyclo[2.2.1]heptane-2,3,7-tricarboxylic acid, 7-benzyl dimethyl ester, trans-
Alternate Name(s) 7-Benzyl 2,3-dimethyl 7-azabicyclo[2.2.1]heptane-2,3,7-tricarboxylate 7-Azabicyclo[2.2.1]heptane-2,3,7-tricarboxylic acid O2,O3-dimethyl ester O7-(phenylmethyl) ester 7-Azabicyclo[2.2.1]heptane-2,3,7-tricarboxylic acid O7-benzyl ester O2,O3-dimethyl ester 7-O-benzyl 2-O,3-O-dimethyl 7-azabicyclo[2.2.1]heptane-2,3,7-tricarboxylate O2,O3-dimethyl O7-(phenylmethyl) 7-azabicyclo[2.2.1]heptane-2,3,7-tricarboxylate O7-benzyl O2,O3-dimethyl 7-azabicyclo[2.2.1]heptane-2,3,7-tricarboxylate
CAS Registry Number 17037-56-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21NO6
InChI InChI=1S/C18H21NO6/c1-23-16(20)14-12-8-9-13(15(14)17(21)24-2)19(12)18(22)25-10-11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15-/m0/s1
InChIKey DRCUIGBWXAALBO-XGUBFFRZSA-N
Molecular Weight 347.367 g/mol
SMILES COC([C@]1([C@@]2(CC[C@]([C@@]1(C(=O)OC)[H])(N2C(=O)OCc1ccccc1)[H])[H])[H])=O
SPLASH splash10-0006-9300000000-a034996ea4b2d990d3fd
Source of Spectrum O7-0-1419-0
Wiley ID 1339995