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(1S,2S,8S,8aS)-8-(3'-Hydroxypropyl)-7-methyl-1,2,3,7,8,8a-hexahydro-1-naphthyl (S)-2-methylbutanoate
SpectraBase Compound ID KXkz39DlKMI
InChI InChI=1S/C19H30O3/c1-4-13(2)19(21)22-17-9-5-7-15-11-10-14(3)16(18(15)17)8-6-12-20/h7,10-11,13-14,16-18,20H,4-6,8-9,12H2,1-3H3/t13-,14-,16-,17-,18+/m0/s1
InChIKey OAKNLEUODLVQPI-YECZKDOJSA-N
Mol Weight 306.45 g/mol
Molecular Formula C19H30O3
Exact Mass 306.219495 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9FwVTFkKbg5
Name (1S,2S,8S,8as)-8-(3'-Hydroxypropyl)-7-methyl-1,2,3,7,8,8A-hexahydro-1-naphthyl (S)-2-methylbutanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 306.219494823 u
Formula C19H30O3
InChI InChI=1S/C19H30O3/c1-4-13(2)19(21)22-17-9-5-7-15-11-10-14(3)16(18(15)17)8-6-12-20/h7,10-11,13-14,16-18,20H,4-6,8-9,12H2,1-3H3/t13-,14-,16-,17-,18+/m0/s1
InChIKey OAKNLEUODLVQPI-YECZKDOJSA-N
SMILES [C@@]12([C@@](OC(=O)[C@](CC)(C)[H])(CCC=C2C=C[C@@]([C@@]1(CCCO)[H])(C)[H])[H])[H]