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2a-chloro-8,13-epoxylabdane
SpectraBase Compound ID 2TWMmosV9rI
InChI InChI=1S/C20H35ClO/c1-7-18(4)10-8-16-19(5)13-14(21)12-17(2,3)15(19)9-11-20(16,6)22-18/h14-16H,7-13H2,1-6H3/t14-,15-,16+,18-,19-,20+/m0/s1
InChIKey GNSAGEJBBGEQSN-JFVPRCSHSA-N
Mol Weight 327.0 g/mol
Molecular Formula C20H35ClO
Exact Mass 326.237643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 56dhnGh2iiU
Name 2a-chloro-8,13-epoxylabdane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H35ClO
InChI InChI=1S/C20H35ClO/c1-7-18(4)10-8-16-19(5)13-14(21)12-17(2,3)15(19)9-11-20(16,6)22-18/h14-16H,7-13H2,1-6H3/t14-,15-,16+,18-,19-,20+/m0/s1
InChIKey GNSAGEJBBGEQSN-JFVPRCSHSA-N
Molecular Weight 326.952 g/mol
SMILES [C@]12([C@@]3([C@@](O[C@](CC3)(CC)C)(C)CC[C@]1(C(C)(C)C[C@@](C2)(Cl)[H])[H])[H])C
SPLASH splash10-01t9-0069000000-5bf0efc28d52933df221
Source of Spectrum B-46-1125-0
Synonyms (3S,4aR,6aS,9S,10aS,10bR)-9-chloro-3-ethyl-3,4a,7,7,10a-pentamethyldodecahydro-1H-benzo[f]chromene
Wiley ID 1325051