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[2.2](1,3)-Adamantanometacyclophane-16-carboxylic acid

View entire compound with spectra: 1 MS (GC)

[2.2](1,3)-Adamantanometacyclophane-16-carboxylic acid
SpectraBase Compound ID GVPJNBwHIjP
InChI InChI=1S/C21H26O2/c22-19(23)18-17-9-16-10-20(12-17)6-4-14-2-1-3-15(8-14)5-7-21(18,11-16)13-20/h1-3,8,16-18H,4-7,9-13H2,(H,22,23)/t16-,17+,18-,20-,21-/m0/s1
InChIKey APAGQZPULFTITI-LBFCPWMRSA-N
Mol Weight 310.44 g/mol
Molecular Formula C21H26O2
Exact Mass 310.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2HkT2by22C
Name [2.2](1,3)-Adamantanometacyclophane-16-carboxylic acid
Alternate Name(s) Pentacyclo[9.5.1.1(1,13).1(4,8).1(11,15)]icosa-4(20),5,7-triene-12-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O2
InChI InChI=1S/C21H26O2/c22-19(23)18-17-9-16-10-20(12-17)6-4-14-2-1-3-15(8-14)5-7-21(18,11-16)13-20/h1-3,8,16-18H,4-7,9-13H2,(H,22,23)/t16-,17+,18-,20-,21-/m0/s1
InChIKey APAGQZPULFTITI-LBFCPWMRSA-N
Molecular Weight 310.437 g/mol
SMILES OC([C@]1([C@@]23C[C@@]4(C[C@]1(C[C@](C3)(C4)[H])[H])CCc1cc(CC2)ccc1)[H])=O
SPLASH splash10-03xs-0953000000-c4a2aab5b6b81334230e
Source of Spectrum K-127-2087-5
Wiley ID 1312041