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4-Hydroperoxy-19-nor-abietane
SpectraBase Compound ID 91CzRTB0A2q
InChI InChI=1S/C19H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-18(16,3)10-5-11-19(17,4)21-20/h6,8,12-13,17,20H,5,7,9-11H2,1-4H3/t17-,18-,19+/m1/s1
InChIKey SERPESJFVFFAKV-QRVBRYPASA-N
Mol Weight 288.43 g/mol
Molecular Formula C19H28O2
Exact Mass 288.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9OQUET0V7rH
Name 4-Hydroperoxy-19-nor-abietane
Alternate Name(s) (1S,4aS,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro-phenanthren-1-yl-hydroperoxide
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Formula C19H28O2
InChI InChI=1S/C19H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-18(16,3)10-5-11-19(17,4)21-20/h6,8,12-13,17,20H,5,7,9-11H2,1-4H3/t17-,18-,19+/m1/s1
InChIKey SERPESJFVFFAKV-QRVBRYPASA-N
Molecular Weight 288.431 g/mol
SMILES OO[C@@]1([C@]2([C@@](c3c(cc(cc3)C(C)C)CC2)(CCC1)C)[H])C
SPLASH splash10-0079-1950000000-f75f3fee08eeed6d950e
Source of Spectrum F-50-2597-8
Wiley ID 1292128