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Bicyclo[2.2.1]heptane-2,7-diol, bis(4-nitrobenzoate)
SpectraBase Compound ID EKJ5TmuNskf
InChI InChI=1S/C21H18N2O8/c24-20(12-1-6-15(7-2-12)22(26)27)30-18-11-14-5-10-17(18)19(14)31-21(25)13-3-8-16(9-4-13)23(28)29/h1-4,6-9,14,17-19H,5,10-11H2/t14-,17+,18+,19?/m1/s1
InChIKey BATNWBAUMSJZFI-QPZJVUEUSA-N
Mol Weight 426.38 g/mol
Molecular Formula C21H18N2O8
Exact Mass 426.106316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CWgkFjwp6wy
Name Bicyclo[2.2.1]heptane-2,7-diol, bis(4-nitrobenzoate)
Alternate Name(s) 7-[(4-nitrobenzoyl)oxy]bicyclo[2.2.1]hept-2-yl 4-nitrobenzoate Bicyclo(2.2.1)hept-2,7-diyl-bis-p-nitrobenzoate 4-Nitrobenzoic acid [7-[(4-nitrophenyl)-oxomethoxy]-3-bicyclo[2.2.1]heptanyl] ester [7-(4-nitrobenzoyl)oxy-3-bicyclo[2.2.1]heptanyl] 4-nitrobenzoate [7-(4-nitrobenzoyl)oxynorbornan-2-yl] 4-nitrobenzoate [7-(4-nitrophenyl)carbonyloxy-3-bicyclo[2.2.1]heptanyl] 4-nitrobenzoate
CAS Registry Number 74367-28-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18N2O8
InChI InChI=1S/C21H18N2O8/c24-20(12-1-6-15(7-2-12)22(26)27)30-18-11-14-5-10-17(18)19(14)31-21(25)13-3-8-16(9-4-13)23(28)29/h1-4,6-9,14,17-19H,5,10-11H2/t14-,17+,18+,19?/m1/s1
InChIKey BATNWBAUMSJZFI-QPZJVUEUSA-N
Molecular Weight 426.381 g/mol
SMILES c1(N(=O)=O)ccc(C(O[C@@]2([C@]3(C(OC(c4ccc(N(=O)=O)cc4)=O)[C@@](C2)(CC3)[H])[H])[H])=O)cc1
SPLASH splash10-0udi-5900000000-768006bd9b3bfb9b4f73
Source of Spectrum W5-1989-59368-6168
Wiley ID 1379847