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(5R,6S)-6,9-Dihydro-5-methoxy-6-methyl-5H-benzo[7]annulene and (5R,6S)-6,7-dihydro-5-methoxy-6-methyl-5H-benzo[7]annulene
SpectraBase Compound ID 9hgCsw0xZwh
InChI InChI=1S/2C13H16O/c2*1-10-6-5-8-11-7-3-4-9-12(11)13(10)14-2/h3-5,7-10,13H,6H2,1-2H3;3-7,9-10,13H,8H2,1-2H3/t2*10-,13+/m00/s1
InChIKey BAPOIIFLDYGHAR-NSRQRRPRSA-N
Mol Weight 188.27 g/mol
Molecular Formula C13H16O
Exact Mass 188.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2kJvGJMUtBZ
Name (5R,6S)-6,9-Dihydro-5-methoxy-6-methyl-5H-benzo[7]annulene and (5R,6S)-6,7-dihydro-5-methoxy-6-methyl-5H-benzo[7]annulene
Alternate Name(s) (5R,6S)-5-methoxy-6-methyl-6,7-dihydro-5H-benzo[7]annulene-(5R,6S)-5-methoxy-6-methyl-6,9-dihydro-5H-benzo[7]annulene (1/1)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H32O2
InChI InChI=1S/2C13H16O/c2*1-10-6-5-8-11-7-3-4-9-12(11)13(10)14-2/h3-5,7-10,13H,6H2,1-2H3;3-7,9-10,13H,8H2,1-2H3/t2*10-,13+/m00/s1
InChIKey BAPOIIFLDYGHAR-NSRQRRPRSA-N
Literature Reference DOI 10.1002/hlca.201200653
Molecular Weight 188.270 g/mol
SMILES c1ccc2c(c1)C=CC[C@@]([C@]2(OC)[H])(C)[H].c1cc2c(cc1)[C@](OC)([C@](C=CC2)(C)[H])[H]
SPLASH splash10-05r6-0900000000-81c1f3364dfe26e71575
Source of Spectrum H-96-1712-4c+5c
Wiley ID 1784787