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RETICULIDIN-B
SpectraBase Compound ID 5p41pcuEwVB
InChI InChI=1S/C16H22Cl3NO/c1-15(2)12-5-4-10(6-7-20-14(18)19)8-16(12,3)9-11(21)13(15)17/h4,6-7,11-13,21H,5,8-9H2,1-3H3/b7-6+/t11-,12-,13-,16-/m0/s1
InChIKey JOJUODIBULSKBG-NNYSSPGYSA-N
Mol Weight 350.72 g/mol
Molecular Formula C16H22Cl3NO
Exact Mass 349.076697 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8f2kIOCE9A2
Name (2S,3R,4aR,8aS)-3-chloro-7-[(E)-2-(dichloromethyleneamino)vinyl]-4,4,8a-trimethyl-1,2,3,4a,5,8-hexahydronaphthalen-2-ol
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Formula C16H22Cl3NO
InChI InChI=1S/C16H22Cl3NO/c1-15(2)12-5-4-10(6-7-20-14(18)19)8-16(12,3)9-11(21)13(15)17/h4,6-7,11-13,21H,5,8-9H2,1-3H3/b7-6+/t11-,12-,13-,16-/m0/s1
InChIKey JOJUODIBULSKBG-NNYSSPGYSA-N
Molecular Weight 350.717 g/mol
SMILES O[C@@]1([C@](Cl)(C([C@]2([C@](C1)(CC(=CC2)\C=C\N=C(Cl)Cl)C)[H])(C)C)[H])[H]
SPLASH splash10-0w2a-0009000000-f34cee034d4376b5b89c
Source of Spectrum G4-62-1340-2
Synonyms (2S,3R,4aR,8aS)-3-chloro-7-[(E)-2-(dichloromethylideneamino)ethenyl]-4,4,8a-trimethyl-1,2,3,4a,5,8-hexahydronaphthalen-2-ol (2S,3R,4aR,8aS)-7-[(E)-2-[bis(chloranyl)methylideneamino]ethenyl]-3-chloranyl-4,4,8a-trimethyl-1,2,3,4a,5,8-hexahydronaphthalen-2-ol Reticulidin B
Wiley ID 1608011