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(3aR*,4R*,9bR*)-(+-)-4-Phenyl-1,2,3,3a,4,9b-hexahydrocyclopenta[c][1]benzopyran
SpectraBase Compound ID ESYMgbmEUZ4
InChI InChI=1S/C18H18O/c1-2-7-13(8-3-1)18-16-11-6-10-14(16)15-9-4-5-12-17(15)19-18/h1-5,7-9,12,14,16,18H,6,10-11H2/t14-,16+,18-/m0/s1
InChIKey IKJCHTSSBUUPQJ-LESCRADOSA-N
Mol Weight 250.34 g/mol
Molecular Formula C18H18O
Exact Mass 250.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 32FiP5ZjEJE
Name (3aR*,4R*,9bR*)-(+-)-4-Phenyl-1,2,3,3a,4,9b-hexahydrocyclopenta[c][1]benzopyran
Alternate Name(s) (3aR,4R,9bR)-4-phenyl-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18O
InChI InChI=1S/C18H18O/c1-2-7-13(8-3-1)18-16-11-6-10-14(16)15-9-4-5-12-17(15)19-18/h1-5,7-9,12,14,16,18H,6,10-11H2/t14-,16+,18-/m0/s1
InChIKey IKJCHTSSBUUPQJ-LESCRADOSA-N
Molecular Weight 250.341 g/mol
SMILES [C@@]1(Oc2c([C@@]3(CCC[C@@]13[H])[H])cccc2)(c1ccccc1)[H]
SPLASH splash10-0zfr-0690000000-660d0d287a2d56aadfe6
Source of Spectrum AJ-72-79-15
Wiley ID 774908