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4,7-Methanoisobenzofuran-1(3H)-one, 3a,4,7,7a-tetrahydro-7a-methyl-3-phenyl-, (3.alpha.,3a.alpha.,4.alpha.,7.alpha.,7a.alpha.)-

View entire compound with spectra: 1 MS (GC)

4,7-Methanoisobenzofuran-1(3H)-one, 3a,4,7,7a-tetrahydro-7a-methyl-3-phenyl-, (3.alpha.,3a.alpha.,4.alpha.,7.alpha.,7a.alpha.)-
SpectraBase Compound ID 7YQQoL0RUOc
InChI InChI=1S/C16H16O2/c1-16-12-8-7-11(9-12)13(16)14(18-15(16)17)10-5-3-2-4-6-10/h2-8,11-14H,9H2,1H3/t11-,12+,13+,14+,16+/m0/s1
InChIKey ULXOOZRXNMNOGY-UTHRFFRBSA-N
Mol Weight 240.3 g/mol
Molecular Formula C16H16O2
Exact Mass 240.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GstRCaD0KdR
Name 4,7-Methanoisobenzofuran-1(3H)-one, 3a,4,7,7a-tetrahydro-7a-methyl-3-phenyl-, (3.alpha.,3a.alpha.,4.alpha.,7.alpha.,7a.alpha.)-
CAS Registry Number 93660-27-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O2
InChI InChI=1S/C16H16O2/c1-16-12-8-7-11(9-12)13(16)14(18-15(16)17)10-5-3-2-4-6-10/h2-8,11-14H,9H2,1H3/t11-,12+,13+,14+,16+/m0/s1
InChIKey ULXOOZRXNMNOGY-UTHRFFRBSA-N
Molecular Weight 240.302 g/mol
SMILES C1([C@]2([C@@]([C@]3([H])C[C@]2(C=C3)[H])([H])[C@](O1)(c1ccccc1)[H])C)=O
SPLASH splash10-016r-9500000000-c653874c6f1b7711df87
Source of Spectrum F-44-2910-24
Synonyms (1S,2R,5S,6S,7R)-2-methyl-5-phenyl-4-oxatricyclo[5.2.1.0(2,6)]dec-8-en-3-one exo-5-phenyl-exo-2-methyl-endo-4-oxa-tricyclo[5.2.1.0**2,6]dec-8-en-3-one
Wiley ID 1243479