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15-Cyano-Puupehenone
SpectraBase Compound ID 8Rsyoxe9h59
InChI InChI=1S/C22H27NO3/c1-20(2)7-5-8-21(3)18(20)6-9-22(4)19(21)14(12-23)13-10-15(24)16(25)11-17(13)26-22/h10-11,18-19,24H,5-9H2,1-4H3/t18?,19-,21+,22+/m1/s1
InChIKey QUGUMGCXHOUAOZ-YRAIZVJHSA-N
Mol Weight 353.46 g/mol
Molecular Formula C22H27NO3
Exact Mass 353.199094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FQNXkY9Ynsn
Name 15-Cyano-Puupehenone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27NO3
InChI InChI=1S/C22H27NO3/c1-20(2)7-5-8-21(3)18(20)6-9-22(4)19(21)14(12-23)13-10-15(24)16(25)11-17(13)26-22/h10-11,18-19,24H,5-9H2,1-4H3/t18?,19-,21+,22+/m1/s1
InChIKey QUGUMGCXHOUAOZ-YRAIZVJHSA-N
Molecular Weight 353.462 g/mol
SMILES OC1=CC2=C([C@@]3([C@@]4(C(C(C)(C)CCC4)CC[C@@]3(OC2=CC1=O)C)C)[H])C#N
SPLASH splash10-0udi-0095000000-b488a2ed991578cd18e0
Source of Spectrum G4-61-1506-3
Wiley ID 1607596