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3-(Methoxycarbonyl)-1-adamantanecarboxylic acid
SpectraBase Compound ID 2KxoNEtIyba
InChI InChI=1S/C13H18O4/c1-17-11(16)13-5-8-2-9(6-13)4-12(3-8,7-13)10(14)15/h8-9H,2-7H2,1H3,(H,14,15)/t8-,9+,12+,13-
InChIKey QGHDOZIQCQPUHX-UHFFFAOYSA-N
Mol Weight 238.28 g/mol
Molecular Formula C13H18O4
Exact Mass 238.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FKmsAaruehl
Name 3-(methoxycarbonyl)-1-adamantanecarboxylic acid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O4
InChI InChI=1S/C13H18O4/c1-17-11(16)13-5-8-2-9(6-13)4-12(3-8,7-13)10(14)15/h8-9H,2-7H2,1H3,(H,14,15)/t8-,9+,12+,13-
InChIKey QGHDOZIQCQPUHX-UHFFFAOYSA-N
Molecular Weight 238.283 g/mol
SMILES OC([C@]12C[C@@]3(C(=O)OC)C[C@@](C2)(C[C@](C3)(C1)[H])[H])=O
SPLASH splash10-005c-1900000000-59c2f82d5122b357752c
Source of Spectrum SO-0-75-11
Synonyms 3-carbomethoxyadamantane-1-carboxylic acid 3-Methoxycarbonyladamantane-1-carboxylic acid
Wiley ID 873078