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15-(Acetoxymethyl)-cembra-11,12-epoxy-4,8,13-triene
SpectraBase Compound ID Jaw8etiadPv
InChI InChI=1S/C22H34O3/c1-16-7-6-8-17(2)10-12-21-22(5,25-21)14-13-20(11-9-16)18(3)15-24-19(4)23/h8-9,11,18,21H,6-7,10,12-15H2,1-5H3/b16-9+,17-8+,20-11+/t18?,21-,22+/m0/s1
InChIKey NPPINIIXKXSEEJ-FGHUDEODSA-N
Mol Weight 346.5 g/mol
Molecular Formula C22H34O3
Exact Mass 346.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3dvQGFFLIf8
Name 15-(Acetoxymethyl)-cembra-11,12-epoxy-4,8,13-triene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34O3
InChI InChI=1S/C22H34O3/c1-16-7-6-8-17(2)10-12-21-22(5,25-21)14-13-20(11-9-16)18(3)15-24-19(4)23/h8-9,11,18,21H,6-7,10,12-15H2,1-5H3/b16-9+,17-8+,20-11+/t18?,21-,22+/m0/s1
InChIKey NPPINIIXKXSEEJ-FGHUDEODSA-N
Molecular Weight 346.511 g/mol
SMILES [C@]12(O[C@]2(CC\C(=C\CC\C(=C\C=C/(CC1)C(COC(=O)C)C)C)C)[H])C
SPLASH splash10-000f-0092000000-e182eda4d38ce431309d
Source of Spectrum G4-61-496-2
Wiley ID 1607216