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1(3aH)-Pentalenone, 4,6a-dihydro-4-(2-naphthalenyl)-2,3-diphenyl-, (3a.alpha.,4.beta.,6a.alpha.)-
SpectraBase Compound ID 6RKf6f1TmIN
InChI InChI=1S/C30H22O/c31-30-26-18-17-25(24-16-15-20-9-7-8-14-23(20)19-24)29(26)27(21-10-3-1-4-11-21)28(30)22-12-5-2-6-13-22/h1-19,25-26,29H/t25-,26-,29+/m1/s1
InChIKey ZELUHJMNMYMIEP-GEBXHLAXSA-N
Mol Weight 398.51 g/mol
Molecular Formula C30H22O
Exact Mass 398.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3JArb2K2Y8y
Name 1(3aH)-Pentalenone, 4,6a-dihydro-4-(2-naphthalenyl)-2,3-diphenyl-, (3a.alpha.,4.beta.,6a.alpha.)-
Alternate Name(s) (3aS,4S,6aR)-4-(2-naphthyl)-2,3-diphenyl-4,6a-dihydro-1(3aH)-pentalenone c-4,c-6a-dihydro-4-(2-naphthyl)-2,3-diphenylpentalen-1(r-3ah)-one
CAS Registry Number 131270-53-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H22O
InChI InChI=1S/C30H22O/c31-30-26-18-17-25(24-16-15-20-9-7-8-14-23(20)19-24)29(26)27(21-10-3-1-4-11-21)28(30)22-12-5-2-6-13-22/h1-19,25-26,29H/t25-,26-,29+/m1/s1
InChIKey ZELUHJMNMYMIEP-GEBXHLAXSA-N
Molecular Weight 398.505 g/mol
SMILES C1(=C([C@]2([C@@](c3cc4ccccc4cc3)(C=C[C@]2(C1=O)[H])[H])[H])c1ccccc1)c1ccccc1
SPLASH splash10-014j-0946000000-0f99cddcb1a197736e02
Source of Spectrum KC-1990-2804-9
Wiley ID 1368846