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(4aS,5R,8S)-8-(2-Benzyloxy-1-methyl-ethyl)-5-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
SpectraBase Compound ID DD4b1W09igR
InChI InChI=1S/C21H28O2/c1-15-8-10-20(21-12-18(22)9-11-19(15)21)16(2)13-23-14-17-6-4-3-5-7-17/h3-7,12,15-16,19-20H,8-11,13-14H2,1-2H3/t15-,16?,19+,20+/m1/s1
InChIKey WKQHMSMTLKJFBJ-IUEOMJKZSA-N
Mol Weight 312.45 g/mol
Molecular Formula C21H28O2
Exact Mass 312.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KXP3N0TTfvr
Name (4aS,5R,8S)-8-(2-Benzyloxy-1-methyl-ethyl)-5-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O2
InChI InChI=1S/C21H28O2/c1-15-8-10-20(21-12-18(22)9-11-19(15)21)16(2)13-23-14-17-6-4-3-5-7-17/h3-7,12,15-16,19-20H,8-11,13-14H2,1-2H3/t15-,16?,19+,20+/m1/s1
InChIKey WKQHMSMTLKJFBJ-IUEOMJKZSA-N
Molecular Weight 312.453 g/mol
SMILES C1=2[C@@](CCC(C2)=O)([C@](C)(CC[C@]1(C(COCc1ccccc1)C)[H])[H])[H]
SPLASH splash10-01ox-1912000000-21c9858a8b31547a9cb5
Source of Spectrum KC-0-3442-24
Synonyms (4aS,5R,8S)-5-methyl-8-(1-phenylmethoxypropan-2-yl)-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
Wiley ID 823914