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1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1-methyl-, methyl ester, [1S-(1.alpha.,4a.alpha.,10a.beta.)]-
SpectraBase Compound ID hH6ESNMyMw
InChI InChI=1S/C17H22O2/c1-17(16(18)19-2)11-5-8-14-13-7-4-3-6-12(13)9-10-15(14)17/h3-4,6-7,14-15H,5,8-11H2,1-2H3
InChIKey VXFCZVWTMNUKPQ-UHFFFAOYSA-N
Mol Weight 258.36 g/mol
Molecular Formula C17H22O2
Exact Mass 258.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 26Yev81MCwC
Name 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1-methyl-, methyl ester, [1S-(1.alpha.,4a.alpha.,10a.beta.)]-
CAS Registry Number 57378-56-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O2
InChI InChI=1S/C17H22O2/c1-17(16(18)19-2)11-5-8-14-13-7-4-3-6-12(13)9-10-15(14)17/h3-4,6-7,14-15H,5,8-11H2,1-2H3
InChIKey VXFCZVWTMNUKPQ-UHFFFAOYSA-N
Molecular Weight 258.361 g/mol
SMILES CC1(CCCC2c3ccccc3CCC12)C(=O)OC
SPLASH splash10-00or-2900000000-d2a66671aa7bf8ce8391
Source of Spectrum EP-8165-0-0
Synonyms Methyl 1-methyl-1,2,3,4,4a,9,10,10a-octahydro-1-phenanthrenecarboxylate 1-Methyl-3,4,4a,9,10,10a-hexahydro-2H-phenanthrene-1-carboxylic acid methyl ester Methyl 1-methyl-3,4,4a,9,10,10a-hexahydro-2H-phenanthrene-1-carboxylate
Wiley ID 1262165