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1(4H)-Naphthalenone, 4A,5,6,7,8,8A-hexahydro-6-hydroxy-4-(hydroxymethyl)-3,4A,8,8-tetramethyl-, diacetate
SpectraBase Compound ID 5vvwjgfd4WI
InChI InChI=1S/C19H28O5/c1-11-7-16(22)17-18(4,5)8-14(24-13(3)21)9-19(17,6)15(11)10-23-12(2)20/h7,14-15,17H,8-10H2,1-6H3
InChIKey MEYHAWODDUXBJN-UHFFFAOYSA-N
Mol Weight 336.43 g/mol
Molecular Formula C19H28O5
Exact Mass 336.193674 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HoIhPfE32cX
Name 1(4H)-Naphthalenone, 4A,5,6,7,8,8A-hexahydro-6-hydroxy-4-(hydroxymethyl)-3,4A,8,8-tetramethyl-, diacetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 336.193673997 u
Formula C19H28O5
InChI InChI=1S/C19H28O5/c1-11-7-16(22)17-18(4,5)8-14(24-13(3)21)9-19(17,6)15(11)10-23-12(2)20/h7,14-15,17H,8-10H2,1-6H3
InChIKey MEYHAWODDUXBJN-UHFFFAOYSA-N
Molecular Weight 336.428 g/mol
SMILES C1(C=C(C(C2(C1C(CC(C2)OC(C)=O)(C)C)C)COC(C)=O)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.965536