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(3aS,8aR)-2,3,5,6,7,8-hexahydro-3a,8a-methano-1H,4H-azulen-1-one (S,S)-hydrobenzoin ketal
SpectraBase Compound ID AQyEO0VvgpT
InChI InChI=1S/C25H28O2/c1-4-10-19(11-5-1)21-22(20-12-6-2-7-13-20)27-25(26-21)17-16-23-14-8-3-9-15-24(23,25)18-23/h1-2,4-7,10-13,21-22H,3,8-9,14-18H2/t21?,22?,23-,24+,25?/m0/s1
InChIKey IXLUXTMIGKBFEK-RCQKBIOXSA-N
Mol Weight 360.5 g/mol
Molecular Formula C25H28O2
Exact Mass 360.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5wxttC2V25M
Name (3aS,8aR)-2,3,5,6,7,8-hexahydro-3a,8a-methano-1H,4H-azulen-1-one (S,S)-hydrobenzoin ketal
CAS Registry Number 117583-56-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H28O2
InChI InChI=1S/C25H28O2/c1-4-10-19(11-5-1)21-22(20-12-6-2-7-13-20)27-25(26-21)17-16-23-14-8-3-9-15-24(23,25)18-23/h1-2,4-7,10-13,21-22H,3,8-9,14-18H2/t21?,22?,23-,24+,25?/m0/s1
InChIKey IXLUXTMIGKBFEK-RCQKBIOXSA-N
Molecular Weight 360.497 g/mol
SMILES C12([C@@]34[C@@](CCCCC4)(CC1)C3)OC(c1ccccc1)C(O2)c1ccccc1
SPLASH splash10-0a4l-2910000000-52b768139d5d3a7c1724
Source of Spectrum J-54-252-8
Synonyms (1'S,7'R)-4,5-diphenylspiro[1,3-dioxolane-2,8'-tricyclo[5.3.1.0(1,7)]undecane]
Wiley ID 1348727