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1-Phenanthrenecarboxylic acid, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-4a,7-dimethyl-, [1R-(1.alpha.,4a.beta.,4b.alpha.,7.beta.,10a.alpha.)]-
SpectraBase Compound ID H0iMF1nHSKE
InChI InChI=1S/C19H28O2/c1-4-18(2)11-9-15-13(12-18)7-8-16-14(17(20)21)6-5-10-19(15,16)3/h4,12,14-16H,1,5-11H2,2-3H3,(H,20,21)
InChIKey YRNUQSXVUCCZKS-UHFFFAOYSA-N
Mol Weight 288.43 g/mol
Molecular Formula C19H28O2
Exact Mass 288.20893 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6igDKbvVvFj
Name 1-Phenanthrenecarboxylic acid, 7-ethenyl-1,2,3,4,4A,4B,5,6,7,9,10,10A-dodecahydro-4A,7-dimethyl-, [1R-(1.alpha.,4A.beta.,4B.alpha.,7.beta.,10A.alpha.)]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 288.208930140 u
Formula C19H28O2
InChI InChI=1S/C19H28O2/c1-4-18(2)11-9-15-13(12-18)7-8-16-14(17(20)21)6-5-10-19(15,16)3/h4,12,14-16H,1,5-11H2,2-3H3,(H,20,21)
InChIKey YRNUQSXVUCCZKS-UHFFFAOYSA-N
SMILES C1CCC2(C(C1C(O)=O)CCC=1C2CCC(C1)(C)C=C)C