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1-Methoxy-3-pentyl-6a,7,8,10a-tetrahydro-6,6-dimethyl-6H-dibenzo[b,d]pyran-9-carboxylic Acid
SpectraBase Compound ID 14dgD8BNiYl
InChI InChI=1S/C22H30O4/c1-5-6-7-8-14-11-18(25-4)20-16-13-15(21(23)24)9-10-17(16)22(2,3)26-19(20)12-14/h11-13,16-17H,5-10H2,1-4H3,(H,23,24)
InChIKey VPBHUGWJPCPNEC-UHFFFAOYSA-N
Mol Weight 358.48 g/mol
Molecular Formula C22H30O4
Exact Mass 358.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1RgZ6qfHvk6
Name 1-Methoxy-3-pentyl-6a,7,8,10a-tetrahydro-6,6-dimethyl-6H-dibenzo[b,d]pyran-9-carboxylic Acid
CAS Registry Number 130799-56-3
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O4
InChI InChI=1S/C22H30O4/c1-5-6-7-8-14-11-18(25-4)20-16-13-15(21(23)24)9-10-17(16)22(2,3)26-19(20)12-14/h11-13,16-17H,5-10H2,1-4H3,(H,23,24)
InChIKey VPBHUGWJPCPNEC-UHFFFAOYSA-N
Molecular Weight 358.478 g/mol
SMILES OC(C1=CC2c3c(cc(cc3OC)CCCCC)OC(C2CC1)(C)C)=O
SPLASH splash10-0002-0009000000-df9352f8e7b64a5ae55b
Source of Spectrum J-56-1488-33
Synonyms 1-methoxy-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromene-9-carboxylic acid
Wiley ID 1347332