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1-Adamantanecarboxylic acid, 4-nitrobenzyl ester
SpectraBase Compound ID 99q9CtFK1zh
InChI InChI=1S/C18H21NO4/c20-17(23-11-12-1-3-16(4-2-12)19(21)22)18-8-13-5-14(9-18)7-15(6-13)10-18/h1-4,13-15H,5-11H2/t13-,14+,15-,18-
InChIKey CSDSZQGEOAVTPN-OVMOHIIOSA-N
Mol Weight 315.37 g/mol
Molecular Formula C18H21NO4
Exact Mass 315.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 51CebbJiQEv
Name 1-Adamantanecarboxylic acid, 4-nitrobenzyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21NO4
InChI InChI=1S/C18H21NO4/c20-17(23-11-12-1-3-16(4-2-12)19(21)22)18-8-13-5-14(9-18)7-15(6-13)10-18/h1-4,13-15H,5-11H2/t13-,14+,15-,18-
InChIKey CSDSZQGEOAVTPN-OVMOHIIOSA-N
Molecular Weight 315.369 g/mol
SMILES C12(C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])C(OCc1ccc(cc1)N(=O)=O)=O
SPLASH splash10-000i-6900000000-b05fa4442794a08ba100
Source of Spectrum TIPS-2023-114-0
Wiley ID 1884822