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12-CHLOROMERCURIO-13-METHOXY-TOTARA-8,11,13-TRIENE

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12-CHLOROMERCURIO-13-METHOXY-TOTARA-8,11,13-TRIENE
SpectraBase Compound ID JNVF6L48AhZ
InChI InChI=1S/C21H31O.ClH.Hg/c1-14(2)19-15-8-11-18-20(3,4)12-7-13-21(18,5)16(15)9-10-17(19)22-6;;/h9,14,18H,7-8,11-13H2,1-6H3;1H;/q;;+1/p-1/t18-,21+;;/m0../s1
InChIKey VZBUSUSJDYHCTR-GQYJSNKSSA-M
Mol Weight 535.52 g/mol
Molecular Formula C21H31ClHgO
Exact Mass 536.176987 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ImJ3mV1ZWIG
Name [(4bS,8aS)-1-isopropyl-2-methoxy-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl]-chloro-mercury
CAS Registry Number 129456-84-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31ClHgO
InChI InChI=1S/C21H31O.ClH.Hg/c1-14(2)19-15-8-11-18-20(3,4)12-7-13-21(18,5)16(15)9-10-17(19)22-6;;/h9,14,18H,7-8,11-13H2,1-6H3;1H;/q;;+1/p-1/t18-,21+;;/m0../s1
InChIKey VZBUSUSJDYHCTR-GQYJSNKSSA-M
Molecular Weight 535.523 g/mol
SMILES c12c(c(C(C)C)c(c(c2)[Hg]Cl)OC)CC[C@@]2([C@@]1(CCCC2(C)C)C)[H]
SPLASH splash10-014r-9230230000-e232a53a540779b07422
Source of Spectrum B-43-691-7
Synonyms [(4bS,8aS)-2-methoxy-4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl]-chloranyl-mercury [(4bS,8aS)-2-methoxy-4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl]-chloromercury
Wiley ID 1404006