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1,4,6-Cycloheptatriene-1-carboxylic acid, 3-(2-hydroxytricyclo[3.3.1.1(3,7)]dec-2-yl)-, methyl ester
SpectraBase Compound ID 9uGn1Do5ptb
InChI InChI=1S/C19H24O3/c1-22-18(20)14-4-2-3-5-15(11-14)19(21)16-7-12-6-13(9-16)10-17(19)8-12/h2-5,11-13,15-17,21H,6-10H2,1H3
InChIKey GWSOQHHKLPYAFF-UHFFFAOYSA-N
Mol Weight 300.4 g/mol
Molecular Formula C19H24O3
Exact Mass 300.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AhhQTMqKLnQ
Name 1,4,6-Cycloheptatriene-1-carboxylic acid, 3-(2-hydroxytricyclo[3.3.1.1(3,7)]dec-2-yl)-, methyl ester
CAS Registry Number 91894-22-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H24O3
InChI InChI=1S/C19H24O3/c1-22-18(20)14-4-2-3-5-15(11-14)19(21)16-7-12-6-13(9-16)10-17(19)8-12/h2-5,11-13,15-17,21H,6-10H2,1H3
InChIKey GWSOQHHKLPYAFF-UHFFFAOYSA-N
Molecular Weight 300.398 g/mol
SMILES OC1(C2C=C(C(=O)OC)C=CC=C2)C2CC3CC1CC(C2)C3
SPLASH splash10-0udi-2900000000-1e132d3a56f597638003
Source of Spectrum K-117-2402-0
Synonyms Methyl 3-(2-hydroxy-2-adamantyl)-1,4,6-cycloheptatriene-1-carboxylate Methyl 7-(2-hydroxy-2-adamantyl)-1,3,5-cycloheptatriene-2-carboxylate
Wiley ID 1303228