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1,4,4a,5,8,8a-Hexahydro-1-methylene-4-phenyl-3H-benzopyran-3-one
SpectraBase Compound ID LG5g2zRwYOg
InChI InChI=1S/C17H16O2/c1-10-14-12-7-8-13(9-12)15(14)16(17(18)19-10)11-5-3-2-4-6-11/h2-8,12-16H,1,9H2/t12-,13+,14?,15?,16?/m1/s1
InChIKey NPJOJHVALDIBNV-KJVSCNHFSA-N
Mol Weight 252.31 g/mol
Molecular Formula C17H16O2
Exact Mass 252.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9j1Zormu8eM
Name 1,4,4a,5,8,8a-Hexahydro-1-methylene-4-phenyl-3H-benzopyran-3-one
Alternate Name(s) 3-Methylene-6-phenyl-4-oxatricyclo[6.2.1.0(2,7)]undec-9-en-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16O2
InChI InChI=1S/C17H16O2/c1-10-14-12-7-8-13(9-12)15(14)16(17(18)19-10)11-5-3-2-4-6-11/h2-8,12-16H,1,9H2/t12-,13+,14?,15?,16?/m1/s1
InChIKey NPJOJHVALDIBNV-KJVSCNHFSA-N
Molecular Weight 252.313 g/mol
SMILES C1(OC(=C)C2C(C1c1ccccc1)[C@]1(C=C[C@@]2(C1)[H])[H])=O
SPLASH splash10-014r-5920000000-4c5036d42219ec551a7d
Source of Spectrum U-1996-861-10
Wiley ID 768378